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Piperidine-3-carboxamide

CAT: 0127-OR13974-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR13974-01Size:100 g
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CAS Number
4138-26-5
Synonyms
Nipecotamide
MDL Number
MFCD00005993
Purity
95%
Smiles
NC(=O)C1CCCNC1

Chemical Information

3-Piperidinecarboxamide

Nipecotamide is the amide resulting from the formal condensation of nipecotic acid with ammonia.

CAS Number4138-26-5
PubChem CID92980
IUPAC Namepiperidine-3-carboxamide
Molecular FormulaC6H12N2O
Molecular Weight128.17
XLogP-1.3
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
C1CC(CNC1)C(=O)N
InChI
InChI=1S/C6H12N2O/c7-6(9)5-2-1-3-8-4-5/h5,8H,1-4H2,(H2,7,9)
InChIKey
BVOCPVIXARZNQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Piperidinecarboxamide
CAS: 4138-26-5
CID: 92980
Formula: C6H12N2O
MW: 128.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight128.17
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass128.094963011
Monoisotopic Mass128.094963011
Topological Polar Surface Area55.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity114
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes