N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide

C14H17N3O — CID 110864808

IUPACN-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C14H17N3O/c1-17-7-3-5-12(10-17)14(18)16-13-6-2-4-11(8-13)9-15/h2,4,6,8,12H,3,5,7,10H2,1H3,(H,16,18)
InChIKeyJXCGTRXDUCAJSK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds2

About N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide

N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide (PubChem CID 110864808) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
PubChem CID110864808
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C14H17N3O/c1-17-7-3-5-12(10-17)14(18)16-13-6-2-4-11(8-13)9-15/h2,4,6,8,12H,3,5,7,10H2,1H3,(H,16,18)
InChIKeyJXCGTRXDUCAJSK-UHFFFAOYSA-N
XLogP1.84
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672
N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51271965
(3S)-N-(3-cyanophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086096
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
N-(3-cyanophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 51219116
benzyl 3-[(3-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110678535
(3S)-N-(3-cyanophenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125047723
N-(3-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335753
1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 51106201

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide (CID 110864808) is N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is JXCGTRXDUCAJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-7-3-5-12(10-17)14(18)16-13-6-2-4-11(8-13)9-15/h2,4,6,8,12H,3,5,7,10H2,1H3,(H,16,18).
What are the key properties of N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide?
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 110864808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).