chempirical

4-Piperidinecarboxamide

C6H12N2OCAS 39546-32-2128.18 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
152–153 °C
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 53 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
39546-32-2
SMILES
N=C(O)C1CCNCC1
InChIKey
DPBWFNDFMCCGGJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)

Weigh it out

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Names and synonyms

7 names
  • Isonipecotamide
  • 4-Carbamoylpiperidine
  • 4-(Aminocarbonyl)piperidine
  • 4-Piperidylcarboxamide
  • Piperidine-4-carboxylic acid amide
  • 4-Carboxamidopiperidine
  • NSC 82318

Work with 4-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

Cyclopropanecarboxamide6228-73-567 % similar 3-Piperidinecarboxamide4138-26-559 % similar Cyclohexanecarboxamide1122-56-158 % similar Valpromide2430-27-554 % similar Isonipecotic acid498-94-248 % similar (2R)-2-Pyrrolidinecarboxamide62937-45-545 % similar L-Prolinamide7531-52-445 % similar Isonipecotic acid hydrochloride5984-56-543 % 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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