N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide

C20H24ClN3O3 — CID 113113082

IUPACN-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)c(OC)c1
InChIInChI=1S/C20H24ClN3O3/c1-14-16(21)5-4-6-17(14)22-20(25)24-11-9-23(10-12-24)18-8-7-15(26-2)13-19(18)27-3/h4-8,13H,9-12H2,1-3H3,(H,22,25)
InChIKeySOVCPTHUYLMIDX-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.02
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide

N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113113082) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID113113082
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)c(OC)c1
InChIInChI=1S/C20H24ClN3O3/c1-14-16(21)5-4-6-17(14)22-20(25)24-11-9-23(10-12-24)18-8-7-15(26-2)13-19(18)27-3/h4-8,13H,9-12H2,1-3H3,(H,22,25)
InChIKeySOVCPTHUYLMIDX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)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

N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017
methyl 3-[[4-(2,4-dimethoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 4585188
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 3338318
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111834
N-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 19655205
N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696602
N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113096
4-(2,4-dimethoxyphenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 3770339
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
N-(2,6-dibromo-4-propan-2-ylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3870864

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide (CID 113113082) is N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)c(OC)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is SOVCPTHUYLMIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-14-16(21)5-4-6-17(14)22-20(25)24-11-9-23(10-12-24)18-8-7-15(26-2)13-19(18)27-3/h4-8,13H,9-12H2,1-3H3,(H,22,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)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 N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).