N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide

C14H17N3O — CID 114422665

IUPACN-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C14H17N3O/c1-10-6-7-16-13(8-10)14(18)17-12-4-2-11(9-15)3-5-12/h2-5,10,13,16H,6-8H2,1H3,(H,17,18)
InChIKeyUWNBFJYVTNLLPE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.88
Rot. Bonds2

About N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide

N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide (PubChem CID 114422665) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
PubChem CID114422665
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C14H17N3O/c1-10-6-7-16-13(8-10)14(18)17-12-4-2-11(9-15)3-5-12/h2-5,10,13,16H,6-8H2,1H3,(H,17,18)
InChIKeyUWNBFJYVTNLLPE-UHFFFAOYSA-N
XLogP1.88
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 114422983
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide
CID 114422936
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423054
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 114424331
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606
N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422973
4-methyl-N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 114423238
N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423130
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide (CID 114422665) is N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)Nc2ccc(C#N)cc2)C1.
What is the InChIKey of N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is UWNBFJYVTNLLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-6-7-16-13(8-10)14(18)17-12-4-2-11(9-15)3-5-12/h2-5,10,13,16H,6-8H2,1H3,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide?
N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114422665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).