[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone

C18H16Cl2N2O2 — CID 46550522

IUPAC[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18(24)15-3-1-2-4-16(15)20/h1-8H,9-12H2
InChIKeyUNAIQFZXMMITIY-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.59
Rot. Bonds2

About [4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone

[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone (PubChem CID 46550522) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is [4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
PubChem CID46550522
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18(24)15-3-1-2-4-16(15)20/h1-8H,9-12H2
InChIKeyUNAIQFZXMMITIY-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
(4-chlorophenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108534125
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533859
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 113076731
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 86832859

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone (CID 46550522) is [4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The InChIKey is UNAIQFZXMMITIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18(24)15-3-1-2-4-16(15)20/h1-8H,9-12H2.
What are the key properties of [4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone?
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone has a molecular weight of 363.24 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 46550522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).