1-Benzoylpiperidine-4-carboxylic acid

C₁₃H₁₅NO₃CAS 5274-99-7233.27 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₁₃H₁₅NO₃
Molar mass: 233.27 g/mol
Exact mass: 233.1052 Da
Melting point: 132–135 °C
logP: 1.62Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5274-99-7

SMILES

O=C(O)C1CCN(C(=O)c2ccccc2)CC1

InChIKey

ZTGMNCCDDKBPML-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO3/c15-12(10-4-2-1-3-5-10)14-8-6-11(7-9-14)13(16)17/h1-5,11H,6-9H2,(H,16,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

1-Benzoyl-4-piperidinecarboxylic acid
4-Piperidinecarboxylic acid, 1-benzoyl-
Isonipecotic acid, 1-benzoyl-
N-Benzoylisonipecotic acid
NSC 15149
N-Benzoyl-4-piperidinecarboxylic acid

Work with 1-Benzoylpiperidine-4-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-464 % similar 1-Benzylpiperidine-4-carboxylic acid10315-07-862 % similar 1-N-Cbz-pyrrolidine-3-carboxylic acid188527-21-158 % similar Benzoylpiperidine776-75-056 % similar N-Benzyl-3-pyrrolidinecarboxylic acid5731-18-055 % similar 1-Benzoylpiperazine13754-38-653 % similar 1-Benzoyl-4-piperidone24686-78-053 % similar Fmoc-isonipecotic acid148928-15-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-8 (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-5 Mecarbinate15574-49-9 3-(Cyclopentyloxy)-4-methoxyphenyl isocyanate185300-51-0 Benzyl 4-oxo-1-piperidinecarboxylate19099-93-5 3-Formyl-pyrrolidine-1-carboxylicacidbenzylester276872-86-7 N-Boc-5-hydroxyindole434958-85-7 Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate51535-00-3

Elsewhere

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