(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide

C14H17N3O — CID 81139836

IUPAC(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C14H17N3O/c1-10-4-5-11(8-15)7-13(10)17-14(18)12-3-2-6-16-9-12/h4-5,7,12,16H,2-3,6,9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeySEXLHGMGJKRZCN-LBPRGKRZSA-N
MW243.31 g/mol
LogP1.80
Rot. Bonds2

About (3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide

(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide (PubChem CID 81139836) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
PubChem CID81139836
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C14H17N3O/c1-10-4-5-11(8-15)7-13(10)17-14(18)12-3-2-6-16-9-12/h4-5,7,12,16H,2-3,6,9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeySEXLHGMGJKRZCN-LBPRGKRZSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
CID 107807941
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779307
(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 81124714
4-methyl-3-(piperidin-3-ylamino)benzonitrile
CID 62103565
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 119310578
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide
CID 119286388
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 43706116
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
4-methyl-3-(piperidin-3-ylmethylamino)benzonitrile
CID 80555575

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide (CID 81139836) is (3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide is Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is SEXLHGMGJKRZCN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-5-11(8-15)7-13(10)17-14(18)12-3-2-6-16-9-12/h4-5,7,12,16H,2-3,6,9H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide?
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81139836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).