4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide

C18H17Cl4N3O — CID 3782223

IUPAC4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H17Cl4N3O/c19-13-2-1-12(16(21)9-13)11-23-18(26)25-7-5-24(6-8-25)14-3-4-15(20)17(22)10-14/h1-4,9-10H,5-8,11H2,(H,23,26)
InChIKeySJJQAYNKVCZGBJ-UHFFFAOYSA-N
MW433.17 g/mol
LogP5.33
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide

4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 3782223) has the molecular formula C18H17Cl4N3O and a molecular weight of 433.17 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
PubChem CID3782223
Molecular FormulaC18H17Cl4N3O
Molecular Weight433.17 g/mol
Exact Mass431.01
IUPAC Name4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H17Cl4N3O/c19-13-2-1-12(16(21)9-13)11-23-18(26)25-7-5-24(6-8-25)14-3-4-15(20)17(22)10-14/h1-4,9-10H,5-8,11H2,(H,23,26)
InChIKeySJJQAYNKVCZGBJ-UHFFFAOYSA-N
XLogP5.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.17
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)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

Related Compounds

4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134042609
2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one
CID 69184296
(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 72912147
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 24748603
N-[(2-chlorophenyl)methyl]-4-(2-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 174195371
4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108791
(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 138042782
4-(2,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107693

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide (CID 3782223) is 4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is SJJQAYNKVCZGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl4N3O/c19-13-2-1-12(16(21)9-13)11-23-18(26)25-7-5-24(6-8-25)14-3-4-15(20)17(22)10-14/h1-4,9-10H,5-8,11H2,(H,23,26).
What are the key properties of 4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 433.17 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 3782223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).