[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone

C19H18Cl2N2O2 — CID 110495911

IUPAC[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H18Cl2N2O2/c1-13-2-4-14(5-3-13)18(24)22-6-8-23(9-7-22)19(25)15-10-16(20)12-17(21)11-15/h2-5,10-12H,6-9H2,1H3
InChIKeyJWIYEJMTUPENCW-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.90
Rot. Bonds2

About [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone

[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 110495911) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID110495911
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H18Cl2N2O2/c1-13-2-4-14(5-3-13)18(24)22-6-8-23(9-7-22)19(25)15-10-16(20)12-17(21)11-15/h2-5,10-12H,6-9H2,1H3
InChIKeyJWIYEJMTUPENCW-UHFFFAOYSA-N
XLogP3.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 113080335
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
(6-chloro-3-pyridinyl)-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methanone
CID 134062230
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 134062270
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 134063116
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
(4-methylphenyl)-piperazin-4-ium-1-ylmethanone
CID 7016653

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 110495911) is [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1.
What is the InChIKey of [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is JWIYEJMTUPENCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-13-2-4-14(5-3-13)18(24)22-6-8-23(9-7-22)19(25)15-10-16(20)12-17(21)11-15/h2-5,10-12H,6-9H2,1H3.
What are the key properties of [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 377.27 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 110495911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).