4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide

C20H24ClN3O3 — CID 9156702

IUPAC4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1OC
InChIInChI=1S/C20H24ClN3O3/c1-26-18-7-6-15(12-19(18)27-2)14-22-20(25)24-10-8-23(9-11-24)17-5-3-4-16(21)13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)
InChIKeyLWQQXAKSBJODHE-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.39
Rot. Bonds5

About 4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 9156702) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID9156702
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1OC
InChIInChI=1S/C20H24ClN3O3/c1-26-18-7-6-15(12-19(18)27-2)14-22-20(25)24-10-8-23(9-11-24)17-5-3-4-16(21)13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)
InChIKeyLWQQXAKSBJODHE-UHFFFAOYSA-N
XLogP3.39
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide (CID 9156702) is 4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1OC.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is LWQQXAKSBJODHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-26-18-7-6-15(12-19(18)27-2)14-22-20(25)24-10-8-23(9-11-24)17-5-3-4-16(21)13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25).
What are the key properties of 4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 9156702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).