3-Carbamoyl-piperidine-1-carboxylic acid tert-butyl ester

C₁₁H₂₀N₂O₃CAS 91419-49-7228.29 g/mol

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Amide Carbamate

Properties

Molecular formula: C₁₁H₂₀N₂O₃
Molar mass: 228.29 g/mol
Exact mass: 228.1474 Da
logP: 1.12Crippen estimate
Polar surface area: 72.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

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

Aggregated from the 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

91419-49-7

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N

InChIKey

APFUDGDIIFSTSD-UHFFFAOYSA-N

InChI

InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)

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Names and synonyms

1 names

1-N-Boc-piperidine-3-carboxamide

Work with 3-Carbamoyl-piperidine-1-carboxylic acid tert-butyl ester

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

tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate122684-34-886 % similar 3-Acetyl-piperidine-1-carboxylic acid tert-butyl ester858643-92-268 % similar tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-467 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-567 % similar 1-Boc-3-(aminomethyl)piperidine162167-97-767 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-367 % similar 1-((tert-Butoxy)carbonyl)piperidine-3-carboxylic acid71381-75-467 % similar 1-Boc-3-piperidinecarboxylic acid84358-12-367 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 2-carbamoylpiperidine-1-carboxylate388077-74-5 (S)-1-N-Boc-piperidine-2-carboxamide78058-41-0 7-Boc-3-oxa-7,9-diazabicyclo[3.3.1]nonane864448-41-9 1-(tert-Butoxycarbonyl)piperidine-4-carboxamide91419-48-6

Elsewhere

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