2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide

C28H30ClN3O3 — CID 46069014

IUPAC2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C28H30ClN3O3/c1-19-10-11-24(27(33)30-15-12-20-6-3-4-9-25(20)35-2)26(31-19)21-13-16-32(17-14-21)28(34)22-7-5-8-23(29)18-22/h3-11,18,21H,12-17H2,1-2H3,(H,30,33)
InChIKeyODOYPZUKRVNVFC-UHFFFAOYSA-N
MW492.02 g/mol
LogP5.04
Rot. Bonds7

About 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide

2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 46069014) has the molecular formula C28H30ClN3O3 and a molecular weight of 492.02 g/mol. Its IUPAC name is 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID46069014
Molecular FormulaC28H30ClN3O3
Molecular Weight492.02 g/mol
Exact Mass491.20
IUPAC Name2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C28H30ClN3O3/c1-19-10-11-24(27(33)30-15-12-20-6-3-4-9-25(20)35-2)26(31-19)21-13-16-32(17-14-21)28(34)22-7-5-8-23(29)18-22/h3-11,18,21H,12-17H2,1-2H3,(H,30,33)
InChIKeyODOYPZUKRVNVFC-UHFFFAOYSA-N
XLogP5.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.02
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016
2-[1-(3-bromobenzoyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 46068949
2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42867368
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42867558
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867148
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42868055
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46069191
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide (CID 46069014) is 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide is COc1ccccc1CCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is ODOYPZUKRVNVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O3/c1-19-10-11-24(27(33)30-15-12-20-6-3-4-9-25(20)35-2)26(31-19)21-13-16-32(17-14-21)28(34)22-7-5-8-23(29)18-22/h3-11,18,21H,12-17H2,1-2H3,(H,30,33).
What are the key properties of 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide?
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 492.02 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 46069014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).