2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide

C26H34ClN3O — CID 42868312

IUPAC2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(Cc3ccccc3Cl)CC2)n1
InChIInChI=1S/C26H34ClN3O/c1-19-12-13-23(26(31)29(2)22-9-4-3-5-10-22)25(28-19)20-14-16-30(17-15-20)18-21-8-6-7-11-24(21)27/h6-8,11-13,20,22H,3-5,9-10,14-18H2,1-2H3
InChIKeyZZXMLDYRWRGYDU-UHFFFAOYSA-N
MW440.03 g/mol
LogP5.83
Rot. Bonds5

About 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide

2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide (PubChem CID 42868312) has the molecular formula C26H34ClN3O and a molecular weight of 440.03 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide
PubChem CID42868312
Molecular FormulaC26H34ClN3O
Molecular Weight440.03 g/mol
Exact Mass439.24
IUPAC Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(Cc3ccccc3Cl)CC2)n1
InChIInChI=1S/C26H34ClN3O/c1-19-12-13-23(26(31)29(2)22-9-4-3-5-10-22)25(28-19)20-14-16-30(17-15-20)18-21-8-6-7-11-24(21)27/h6-8,11-13,20,22H,3-5,9-10,14-18H2,1-2H3
InChIKeyZZXMLDYRWRGYDU-UHFFFAOYSA-N
XLogP5.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.03
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044896
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42868248
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46069191
N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 42867509
(4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
CID 42867590
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068676
2-(2-chlorophenyl)-N-cyclopentyl-N-methylacetamide
CID 166712612
N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 46069178
N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852094

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide (CID 42868312) is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(Cc3ccccc3Cl)CC2)n1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is ZZXMLDYRWRGYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O/c1-19-12-13-23(26(31)29(2)22-9-4-3-5-10-22)25(28-19)20-14-16-30(17-15-20)18-21-8-6-7-11-24(21)27/h6-8,11-13,20,22H,3-5,9-10,14-18H2,1-2H3.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide?
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 440.03 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 42868312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).