N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide

C29H30ClN3O4 — CID 171698758

IUPACN-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide
SMILESCOc1cc(Cl)cc(C(=O)N2CCC(c3ccc(NC(=O)CN(C)C(=O)c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C29H30ClN3O4/c1-32(28(35)22-6-4-3-5-7-22)19-27(34)31-25-10-8-20(9-11-25)21-12-14-33(15-13-21)29(36)23-16-24(30)18-26(17-23)37-2/h3-11,16-18,21H,12-15,19H2,1-2H3,(H,31,34)
InChIKeyPTNQBOPINHMMFL-UHFFFAOYSA-N
MW520.03 g/mol
LogP5.08
Rot. Bonds7

About N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide

N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 171698758) has the molecular formula C29H30ClN3O4 and a molecular weight of 520.03 g/mol. Its IUPAC name is N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide
PubChem CID171698758
Molecular FormulaC29H30ClN3O4
Molecular Weight520.03 g/mol
Exact Mass519.19
IUPAC NameN-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide
SMILESCOc1cc(Cl)cc(C(=O)N2CCC(c3ccc(NC(=O)CN(C)C(=O)c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C29H30ClN3O4/c1-32(28(35)22-6-4-3-5-7-22)19-27(34)31-25-10-8-20(9-11-25)21-12-14-33(15-13-21)29(36)23-16-24(30)18-26(17-23)37-2/h3-11,16-18,21H,12-15,19H2,1-2H3,(H,31,34)
InChIKeyPTNQBOPINHMMFL-UHFFFAOYSA-N
XLogP5.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.03
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide
CID 171678314
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 46822995
2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171681053
N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 171683165
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9438322
N-[4-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetamide
CID 171697442
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 18112338
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 55544316
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 35678379
3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719235
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 24980864

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide (CID 171698758) is N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide is COc1cc(Cl)cc(C(=O)N2CCC(c3ccc(NC(=O)CN(C)C(=O)c4ccccc4)cc3)CC2)c1.
What is the InChIKey of N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is PTNQBOPINHMMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O4/c1-32(28(35)22-6-4-3-5-7-22)19-27(34)31-25-10-8-20(9-11-25)21-12-14-33(15-13-21)29(36)23-16-24(30)18-26(17-23)37-2/h3-11,16-18,21H,12-15,19H2,1-2H3,(H,31,34).
What are the key properties of N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 520.03 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 171698758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).