(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone

C24H22Cl2N2O — CID 1083374

IUPAC(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H22Cl2N2O/c25-20-11-12-21(22(26)17-20)24(29)28-15-13-27(14-16-28)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2
InChIKeyGQSVKMYYHWBWKL-UHFFFAOYSA-N
MW425.36 g/mol
LogP5.54
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone

(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone (PubChem CID 1083374) has the molecular formula C24H22Cl2N2O and a molecular weight of 425.36 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
PubChem CID1083374
Molecular FormulaC24H22Cl2N2O
Molecular Weight425.36 g/mol
Exact Mass424.11
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H22Cl2N2O/c25-20-11-12-21(22(26)17-20)24(29)28-15-13-27(14-16-28)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2
InChIKeyGQSVKMYYHWBWKL-UHFFFAOYSA-N
XLogP5.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.36
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide
CID 92677391
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55682200
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 92769078
2-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]benzoic acid
CID 177332987
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 46100556
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 17233989
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
CID 166404625
N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide
CID 46444763
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364942

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone (CID 1083374) is (4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone?
The InChIKey is GQSVKMYYHWBWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O/c25-20-11-12-21(22(26)17-20)24(29)28-15-13-27(14-16-28)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone?
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone has a molecular weight of 425.36 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 1083374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).