1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C27H29ClN4O3 — CID 55922832

IUPAC1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C(c2ccccc2)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1Cl
InChIInChI=1S/C27H29ClN4O3/c1-18-8-11-24(29-17-18)31-26(33)20-12-14-32(15-13-20)25(19-6-4-3-5-7-19)27(34)30-21-9-10-23(35-2)22(28)16-21/h3-11,16-17,20,25H,12-15H2,1-2H3,(H,30,34)(H,29,31,33)
InChIKeyOPYPJXAGNLGGTA-UHFFFAOYSA-N
MW493.01 g/mol
LogP5.08
Rot. Bonds7

About 1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55922832) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55922832
Molecular FormulaC27H29ClN4O3
Molecular Weight493.01 g/mol
Exact Mass492.19
IUPAC Name1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C(c2ccccc2)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1Cl
InChIInChI=1S/C27H29ClN4O3/c1-18-8-11-24(29-17-18)31-26(33)20-12-14-32(15-13-20)25(19-6-4-3-5-7-19)27(34)30-21-9-10-23(35-2)22(28)16-21/h3-11,16-17,20,25H,12-15H2,1-2H3,(H,30,34)(H,29,31,33)
InChIKeyOPYPJXAGNLGGTA-UHFFFAOYSA-N
XLogP5.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.01
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 78899528
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896689
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896685
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2549166
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-2-phenylacetamide
CID 27248358
tert-butyl N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate
CID 55736741
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 6598333
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 2419129
1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 97006508
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 30621176
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470928

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55922832) is 1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C(c2ccccc2)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is OPYPJXAGNLGGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O3/c1-18-8-11-24(29-17-18)31-26(33)20-12-14-32(15-13-20)25(19-6-4-3-5-7-19)27(34)30-21-9-10-23(35-2)22(28)16-21/h3-11,16-17,20,25H,12-15H2,1-2H3,(H,30,34)(H,29,31,33).
What are the key properties of 1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 493.01 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55922832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).