2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide

C29H31ClN2O5 — CID 171681053

IUPAC2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
SMILESCOc1cc(Cl)ccc1CC(=O)Nc1ccc(C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1
InChIInChI=1S/C29H31ClN2O5/c1-35-24-5-4-6-25(36-2)28(24)29(34)32-15-13-20(14-16-32)19-8-11-23(12-9-19)31-27(33)17-21-7-10-22(30)18-26(21)37-3/h4-12,18,20H,13-17H2,1-3H3,(H,31,33)
InChIKeyWTTDKEOYLGSDNP-UHFFFAOYSA-N
MW523.03 g/mol
LogP5.57
Rot. Bonds8

About 2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide

2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide (PubChem CID 171681053) has the molecular formula C29H31ClN2O5 and a molecular weight of 523.03 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
PubChem CID171681053
Molecular FormulaC29H31ClN2O5
Molecular Weight523.03 g/mol
Exact Mass522.19
IUPAC Name2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
SMILESCOc1cc(Cl)ccc1CC(=O)Nc1ccc(C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1
InChIInChI=1S/C29H31ClN2O5/c1-35-24-5-4-6-25(36-2)28(24)29(34)32-15-13-20(14-16-32)19-8-11-23(12-9-19)31-27(33)17-21-7-10-22(30)18-26(21)37-3/h4-12,18,20H,13-17H2,1-3H3,(H,31,33)
InChIKeyWTTDKEOYLGSDNP-UHFFFAOYSA-N
XLogP5.57
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.03
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]-3-fluoro-2-nitrobenzamide
CID 171684890
N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126025508
N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide
CID 171683710
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126029508
1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide
CID 171681849
2-(6-chloro-2-fluoro-3-methoxyphenyl)-N-[4-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]phenyl]acetamide
CID 171678349
2-(6-chloro-2-fluoro-3-methoxyphenyl)-N-[4-[1-(2-fluoro-4-nitrobenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171685417
N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide
CID 171683561
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171685751
N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 171683445
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide (CID 171681053) is 2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide is COc1cc(Cl)ccc1CC(=O)Nc1ccc(C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide?
The InChIKey is WTTDKEOYLGSDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN2O5/c1-35-24-5-4-6-25(36-2)28(24)29(34)32-15-13-20(14-16-32)19-8-11-23(12-9-19)31-27(33)17-21-7-10-22(30)18-26(21)37-3/h4-12,18,20H,13-17H2,1-3H3,(H,31,33).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide?
2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide has a molecular weight of 523.03 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 171681053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).