N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide

C21H30N2O2 — CID 109146000

IUPACN-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)N3CCCCC3)CC2)c1C
InChIInChI=1S/C21H30N2O2/c1-15-7-6-8-19(16(15)2)22-20(24)17-9-11-18(12-10-17)21(25)23-13-4-3-5-14-23/h6-8,17-18H,3-5,9-14H2,1-2H3,(H,22,24)
InChIKeyLZGCASQJGKPHFU-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.06
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide

N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109146000) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109146000
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)N3CCCCC3)CC2)c1C
InChIInChI=1S/C21H30N2O2/c1-15-7-6-8-19(16(15)2)22-20(24)17-9-11-18(12-10-17)21(25)23-13-4-3-5-14-23/h6-8,17-18H,3-5,9-14H2,1-2H3,(H,22,24)
InChIKeyLZGCASQJGKPHFU-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexanecarbonyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 113006064
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146152
N-(3-carbamoyl-2-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 34571954
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
2-(azepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 47335483
azepan-1-yl-[1-[2-(2,3-dimethylanilino)benzoyl]piperidin-4-yl]methanone
CID 31611501
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-(3-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99591307

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109146000) is N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide is Cc1cccc(NC(=O)C2CCC(C(=O)N3CCCCC3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is LZGCASQJGKPHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15-7-6-8-19(16(15)2)22-20(24)17-9-11-18(12-10-17)21(25)23-13-4-3-5-14-23/h6-8,17-18H,3-5,9-14H2,1-2H3,(H,22,24).
What are the key properties of N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide?
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109146000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).