4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide

C20H24ClN3O3 — CID 113111403

IUPAC4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-14-4-6-15(7-5-14)22-20(25)24-10-8-23(9-11-24)17-13-18(26-2)16(21)12-19(17)27-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeyDPCRXBQTXCYBEF-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.02
Rot. Bonds4

About 4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide

4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 113111403) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID113111403
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-14-4-6-15(7-5-14)22-20(25)24-10-8-23(9-11-24)17-13-18(26-2)16(21)12-19(17)27-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeyDPCRXBQTXCYBEF-UHFFFAOYSA-N
XLogP4.02
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)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

Related Compounds

4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111710
N-(4-tert-butylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113112691
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23934790
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 3404420
N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696657
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 113112777
4-(4-chloro-2,5-dimethoxyphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104137
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide
CID 113110644
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide (CID 113111403) is 4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide is COc1cc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(OC)cc1Cl.
What is the InChIKey of 4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is DPCRXBQTXCYBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-14-4-6-15(7-5-14)22-20(25)24-10-8-23(9-11-24)17-13-18(26-2)16(21)12-19(17)27-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,25).
What are the key properties of 4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).