N-(1-cyanoethyl)piperidine-1-carboxamide

C9H15N3O — CID 79155449

IUPACN-(1-cyanoethyl)piperidine-1-carboxamide
SMILESCC(C#N)NC(=O)N1CCCCC1
InChIInChI=1S/C9H15N3O/c1-8(7-10)11-9(13)12-5-3-2-4-6-12/h8H,2-6H2,1H3,(H,11,13)
InChIKeyVOHIGRYBXUKUJG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.09
Rot. Bonds1

About N-(1-cyanoethyl)piperidine-1-carboxamide

N-(1-cyanoethyl)piperidine-1-carboxamide (PubChem CID 79155449) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(1-cyanoethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)piperidine-1-carboxamide
PubChem CID79155449
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(1-cyanoethyl)piperidine-1-carboxamide
SMILESCC(C#N)NC(=O)N1CCCCC1
InChIInChI=1S/C9H15N3O/c1-8(7-10)11-9(13)12-5-3-2-4-6-12/h8H,2-6H2,1H3,(H,11,13)
InChIKeyVOHIGRYBXUKUJG-UHFFFAOYSA-N
XLogP1.09
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanoethyl)-4-methylpiperidine-1-carboxamide
CID 79160605
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
N-pent-4-yn-2-ylazepane-1-carboxamide
CID 115667497
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
CID 96683108
(2R)-2-(azocane-1-carbonylamino)-3-methylbutanoic acid
CID 79010449
N-[(2R)-but-3-yn-2-yl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99827132
N-(3-methylpentan-2-yl)azepane-1-carboxamide
CID 115591353
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1-cyanoethyl)piperidine-1-carboxamide (CID 79155449) is N-(1-cyanoethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)piperidine-1-carboxamide is CC(C#N)NC(=O)N1CCCCC1.
What is the InChIKey of N-(1-cyanoethyl)piperidine-1-carboxamide?
The InChIKey is VOHIGRYBXUKUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(7-10)11-9(13)12-5-3-2-4-6-12/h8H,2-6H2,1H3,(H,11,13).
What are the key properties of N-(1-cyanoethyl)piperidine-1-carboxamide?
N-(1-cyanoethyl)piperidine-1-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)piperidine-1-carboxamide is sourced from PubChem (CID 79155449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).