4-cyano-N-methylpiperidine-1-carboxamide

C8H13N3O — CID 78942309

IUPAC4-cyano-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C#N)CC1
InChIInChI=1S/C8H13N3O/c1-10-8(12)11-4-2-7(6-9)3-5-11/h7H,2-5H2,1H3,(H,10,12)
InChIKeyPXKHXVDEXFVVNR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.56
Rot. Bonds

About 4-cyano-N-methylpiperidine-1-carboxamide

4-cyano-N-methylpiperidine-1-carboxamide (PubChem CID 78942309) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-cyano-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-methylpiperidine-1-carboxamide
PubChem CID78942309
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-cyano-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C#N)CC1
InChIInChI=1S/C8H13N3O/c1-10-8(12)11-4-2-7(6-9)3-5-11/h7H,2-5H2,1H3,(H,10,12)
InChIKeyPXKHXVDEXFVVNR-UHFFFAOYSA-N
XLogP0.56
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110312656
1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
CID 39239237
1-acetylazepane-4-carbonitrile
CID 143511927
4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115598305
1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile
CID 129322323
1-butanoylpiperidine-4-carbonitrile
CID 39237347
N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 60969957
4-(difluoromethyl)-N-methylpiperidine-1-carboxamide
CID 130751806
N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide
CID 95154756
(3S)-3-cyanopyrrolidine-1-carboxylic acid
CID 69136165
1-(2,2-dimethylbutanoyl)piperidine-4-carbonitrile
CID 62897348
4-[(dimethylamino)methyl]-N-methylpiperidine-1-carboxamide
CID 115583877

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-methylpiperidine-1-carboxamide (CID 78942309) is 4-cyano-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C#N)CC1.
What is the InChIKey of 4-cyano-N-methylpiperidine-1-carboxamide?
The InChIKey is PXKHXVDEXFVVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-10-8(12)11-4-2-7(6-9)3-5-11/h7H,2-5H2,1H3,(H,10,12).
What are the key properties of 4-cyano-N-methylpiperidine-1-carboxamide?
4-cyano-N-methylpiperidine-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 78942309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).