N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide

C15H22N2O — CID 115159866

IUPACN-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCNC2)c(C)c1C
InChIInChI=1S/C15H22N2O/c1-10-6-7-14(12(3)11(10)2)17-15(18)13-5-4-8-16-9-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyCRJZOXCMZJJJPA-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.55
Rot. Bonds2

About N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide

N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide (PubChem CID 115159866) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
PubChem CID115159866
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCNC2)c(C)c1C
InChIInChI=1S/C15H22N2O/c1-10-6-7-14(12(3)11(10)2)17-15(18)13-5-4-8-16-9-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyCRJZOXCMZJJJPA-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 81124714
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
5-bromo-2-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 81141287

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide (CID 115159866) is N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCNC2)c(C)c1C.
What is the InChIKey of N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide?
The InChIKey is CRJZOXCMZJJJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-6-7-14(12(3)11(10)2)17-15(18)13-5-4-8-16-9-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide?
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 115159866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).