3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide

C24H29ClN2O4 — CID 108935463

IUPAC3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)CCc3ccccc3Cl)CC2)cc1OC
InChIInChI=1S/C24H29ClN2O4/c1-30-21-9-7-19(15-22(21)31-2)24(29)27-13-11-17(12-14-27)16-26-23(28)10-8-18-5-3-4-6-20(18)25/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,26,28)
InChIKeyRQRQDXVXJYSIRR-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.96
Rot. Bonds8

About 3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide

3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide (PubChem CID 108935463) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide
PubChem CID108935463
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC Name3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)CCc3ccccc3Cl)CC2)cc1OC
InChIInChI=1S/C24H29ClN2O4/c1-30-21-9-7-19(15-22(21)31-2)24(29)27-13-11-17(12-14-27)16-26-23(28)10-8-18-5-3-4-6-20(18)25/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,26,28)
InChIKeyRQRQDXVXJYSIRR-UHFFFAOYSA-N
XLogP3.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide 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-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108935459
2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935229
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184
2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 108935285
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108935291
(E)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3,4-dimethylpent-2-enamide
CID 108935551
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-sulfanylbenzamide
CID 108935334
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935464
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108922222

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide (CID 108935463) is 3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide is COc1ccc(C(=O)N2CCC(CNC(=O)CCc3ccccc3Cl)CC2)cc1OC.
What is the InChIKey of 3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is RQRQDXVXJYSIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-30-21-9-7-19(15-22(21)31-2)24(29)27-13-11-17(12-14-27)16-26-23(28)10-8-18-5-3-4-6-20(18)25/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,26,28).
What are the key properties of 3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide?
3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 444.96 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 108935463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).