[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone

C19H19ClN2O2S — CID 110802860

IUPAC[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-25-17-8-4-15(5-9-17)19(24)22-12-10-21(11-13-22)18(23)14-2-6-16(20)7-3-14/h2-9H,10-13H2,1H3
InChIKeyPQKJSJPXPMTOGB-UHFFFAOYSA-N
MW374.89 g/mol
LogP3.66
Rot. Bonds3

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

[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 110802860) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is [4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID110802860
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-25-17-8-4-15(5-9-17)19(24)22-12-10-21(11-13-22)18(23)14-2-6-16(20)7-3-14/h2-9H,10-13H2,1H3
InChIKeyPQKJSJPXPMTOGB-UHFFFAOYSA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloropiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 79205656
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 43415619
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide
CID 78833524
2-(4-chlorophenyl)sulfanyl-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 86928896
[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770596
(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279414
(4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone
CID 122332118
methyl 4-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110801344
(4-methylsulfanylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815727
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone (CID 110802860) is [4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of [4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is PQKJSJPXPMTOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-25-17-8-4-15(5-9-17)19(24)22-12-10-21(11-13-22)18(23)14-2-6-16(20)7-3-14/h2-9H,10-13H2,1H3.
What are the key properties of [4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 374.89 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 110802860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).