ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

C32H39N3O5 — CID 143670700

IUPACethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCC.CNC(=O)c1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(OCc4ccccc4)cc3OC)CC2)c1
InChIInChI=1S/C30H33N3O5.C2H6/c1-20-9-10-23(28(34)31-2)17-26(20)32-29(35)22-13-15-33(16-14-22)30(36)25-12-11-24(18-27(25)37-3)38-19-21-7-5-4-6-8-21;1-2/h4-12,17-18,22H,13-16,19H2,1-3H3,(H,31,34)(H,32,35);1-2H3
InChIKeyJYXDXQKDUJXZQZ-UHFFFAOYSA-N
MW545.68 g/mol
LogP5.46
Rot. Bonds8

About ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 143670700) has the molecular formula C32H39N3O5 and a molecular weight of 545.68 g/mol. Its IUPAC name is ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Nameethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID143670700
Molecular FormulaC32H39N3O5
Molecular Weight545.68 g/mol
Exact Mass545.29
IUPAC Nameethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCC.CNC(=O)c1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(OCc4ccccc4)cc3OC)CC2)c1
InChIInChI=1S/C30H33N3O5.C2H6/c1-20-9-10-23(28(34)31-2)17-26(20)32-29(35)22-13-15-33(16-14-22)30(36)25-12-11-24(18-27(25)37-3)38-19-21-7-5-4-6-8-21;1-2/h4-12,17-18,22H,13-16,19H2,1-3H3,(H,31,34)(H,32,35);1-2H3
InChIKeyJYXDXQKDUJXZQZ-UHFFFAOYSA-N
XLogP5.46
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.68
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]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

1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413
(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone
CID 157370853
1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 55890602
N-(2-methyl-5-phenylmethoxyphenyl)-1-prop-2-enoylazetidine-3-carboxamide
CID 166420523
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 58328128
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 1072822
N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126025508
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672574

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 143670700) is ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide is CC.CNC(=O)c1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(OCc4ccccc4)cc3OC)CC2)c1.
What is the InChIKey of ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is JYXDXQKDUJXZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O5.C2H6/c1-20-9-10-23(28(34)31-2)17-26(20)32-29(35)22-13-15-33(16-14-22)30(36)25-12-11-24(18-27(25)37-3)38-19-21-7-5-4-6-8-21;1-2/h4-12,17-18,22H,13-16,19H2,1-3H3,(H,31,34)(H,32,35);1-2H3.
What are the key properties of ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 545.68 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 143670700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).