1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone

C25H23ClN2O2 — CID 108533859

IUPAC1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H23ClN2O2/c26-22-13-11-21(12-14-22)24(29)27-15-17-28(18-16-27)25(30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKeyVCLJZWFMHXPHBE-UHFFFAOYSA-N
MW418.92 g/mol
LogP4.46
Rot. Bonds4

About 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone

1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 108533859) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone
PubChem CID108533859
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H23ClN2O2/c26-22-13-11-21(12-14-22)24(29)27-15-17-28(18-16-27)25(30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKeyVCLJZWFMHXPHBE-UHFFFAOYSA-N
XLogP4.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
(4-chlorophenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108534125
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 46550455
2,2-diphenyl-1-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 108533885
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 92769694
(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279414
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 78849819
1-[4-[5-(4-chlorophenyl)pyrimidin-2-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 5065522
3-amino-1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119950536
2,2-diphenyl-1-[4-(2-sulfanylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108544395
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone (CID 108533859) is 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone is O=C(c1ccc(Cl)cc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is VCLJZWFMHXPHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c26-22-13-11-21(12-14-22)24(29)27-15-17-28(18-16-27)25(30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2.
What are the key properties of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone?
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 418.92 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 108533859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).