2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide

C28H32ClN3O — CID 46069186

IUPAC2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCc2ccccc2)c(C2CCN(Cc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C28H32ClN3O/c1-21-9-14-26(28(33)30-17-5-8-22-6-3-2-4-7-22)27(31-21)24-15-18-32(19-16-24)20-23-10-12-25(29)13-11-23/h2-4,6-7,9-14,24H,5,8,15-20H2,1H3,(H,30,33)
InChIKeyFFDZEFKIYFQHHP-UHFFFAOYSA-N
MW462.04 g/mol
LogP5.79
Rot. Bonds8

About 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide

2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 46069186) has the molecular formula C28H32ClN3O and a molecular weight of 462.04 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID46069186
Molecular FormulaC28H32ClN3O
Molecular Weight462.04 g/mol
Exact Mass461.22
IUPAC Name2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCc2ccccc2)c(C2CCN(Cc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C28H32ClN3O/c1-21-9-14-26(28(33)30-17-5-8-22-6-3-2-4-7-22)27(31-21)24-15-18-32(19-16-24)20-23-10-12-25(29)13-11-23/h2-4,6-7,9-14,24H,5,8,15-20H2,1H3,(H,30,33)
InChIKeyFFDZEFKIYFQHHP-UHFFFAOYSA-N
XLogP5.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.04
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46069019
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068699
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 46044811
2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069124
N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044852
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46069191
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068676
N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 46069178
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42868248
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42867558

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 46069186) is 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCc2ccccc2)c(C2CCN(Cc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is FFDZEFKIYFQHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O/c1-21-9-14-26(28(33)30-17-5-8-22-6-3-2-4-7-22)27(31-21)24-15-18-32(19-16-24)20-23-10-12-25(29)13-11-23/h2-4,6-7,9-14,24H,5,8,15-20H2,1H3,(H,30,33).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 462.04 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 46069186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).