chempirical

3-Piperidinecarboxamide

C6H12N2OCAS 4138-26-5128.18 g/mol

Open in Covalent MOL file
H2NONH
Secondary amine

Properties

Molecular formula
C6H12N2O
Molar mass
128.18 g/mol
Exact mass
128.0950 Da
Melting point
111–112 °C
Boiling point
149–160 °C (at NaN Torr)
logP
0.52Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
4138-26-5
SMILES
N=C(O)C1CCCNC1
InChIKey
BVOCPVIXARZNQN-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O/c7-6(9)5-2-1-3-8-4-5/h5,8H,1-4H2,(H2,7,9)

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

Names and synonyms

7 names
  • Nipecotamide
  • Nipecotic acid amide
  • 3-Carbamoylpiperidine
  • 3-(Aminocarbonyl)piperidine
  • TK 523
  • NSC 523303
  • Piperidine-3-carboxylic acid amide

Work with 3-Piperidinecarboxamide

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

4-Piperidinecarboxamide39546-32-259 % similar Cyclohexanecarboxamide1122-56-158 % similar (-)-Nipecotic acid25137-00-257 % similar Nipecotic acid498-95-357 % similar (S)-(+)-Nipecotic acid59045-82-857 % similar Nipecotic acid60252-41-757 % similar Cyclopropanecarboxamide6228-73-552 % similar (2R)-2-Pyrrolidinecarboxamide62937-45-550 % similar

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

Same formula

(5S)-1,5-Dimethylpiperazin-2-one1068149-94-9 (S)-(-)-3-Acetamidopyrrolidine114636-31-6 (3R)-(+)-3-Acetamidopyrrolidine131900-62-4 1-Acetylpiperazine13889-98-0 1-Aminocyclopentanecarboxamide17193-28-1 3-Aminoazepan-2-one17929-90-7 Pipecolamide19889-77-1 L-2-Aminohexano-6-lactam21568-87-6

Elsewhere

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