4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide

C24H23Cl2N3O — CID 1358692

IUPAC4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H23Cl2N3O/c25-21-12-11-20(17-22(21)26)27-24(30)29-15-13-28(14-16-29)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2,(H,27,30)
InChIKeyVNNNUWKZMXUHTF-UHFFFAOYSA-N
MW440.37 g/mol
LogP5.93
Rot. Bonds4

About 4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide

4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 1358692) has the molecular formula C24H23Cl2N3O and a molecular weight of 440.37 g/mol. Its IUPAC name is 4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
PubChem CID1358692
Molecular FormulaC24H23Cl2N3O
Molecular Weight440.37 g/mol
Exact Mass439.12
IUPAC Name4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H23Cl2N3O/c25-21-12-11-20(17-22(21)26)27-24(30)29-15-13-28(14-16-29)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2,(H,27,30)
InChIKeyVNNNUWKZMXUHTF-UHFFFAOYSA-N
XLogP5.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.37
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide
CID 108885798
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2822264
1-(4-benzhydrylpiperazin-1-yl)-3-(3,4-dichlorophenyl)prop-2-yn-1-one
CID 122421177
4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide
CID 7359826
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 25478294
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide (CID 1358692) is 4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is VNNNUWKZMXUHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O/c25-21-12-11-20(17-22(21)26)27-24(30)29-15-13-28(14-16-29)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2,(H,27,30).
What are the key properties of 4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 440.37 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 1358692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).