1-Acetyl-4-piperidinecarboxylic acid

C₈H₁₃NO₃CAS 25503-90-6171.20 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₈H₁₃NO₃
Molar mass: 171.20 g/mol
Exact mass: 171.0895 Da
Melting point: 163–178 °C
logP: 0.33Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

25503-90-6

SMILES

CC(=O)N1CCC(C(=O)O)CC1

InChIKey

WFCLWJHOKCQYOQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H13NO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

7 names

4-Piperidinecarboxylic acid, 1-acetyl-
Isonipecotic acid, 1-acetyl-
1-Acetylisonipecotic acid
N-Acetylisonipecotic acid
N-Acetylisonipecotinic acid
N-Acetylpiperidine-4-carboxylic acid
4-Acetylpiperidine-1-carboxylic acid

Work with 1-Acetyl-4-piperidinecarboxylic 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-Acetyl-4-piperidinecarbonyl chloride59084-16-158 % similar 1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid118133-15-654 % similar 1-Methylisonipecotic acid hydrochloride71985-80-353 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-752 % similar 1,4-Cyclohexanedicarboxylic acid619-81-852 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-952 % similar Ac-dl-pro-oh1074-79-950 % similar N-Acetyl-L-proline68-95-150 % similar

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

Same formula

Ucb-L 057102849-49-0 Levetiracetam acid103833-72-3 1-(Ethoxycarbonyl)-4-piperidone29976-53-2 3-Carbethoxy-2-piperidone3731-16-6 tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook