(2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone

C22H23Cl2N3O2S — CID 55911702

IUPAC(2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cccnc2SC2CCCC2)CC1
InChIInChI=1S/C22H23Cl2N3O2S/c23-15-7-8-17(19(24)14-15)21(28)26-10-12-27(13-11-26)22(29)18-6-3-9-25-20(18)30-16-4-1-2-5-16/h3,6-9,14,16H,1-2,4-5,10-13H2
InChIKeyJKLCTXVDCSABNO-UHFFFAOYSA-N
MW464.42 g/mol
LogP5.02
Rot. Bonds4

About (2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone

(2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone (PubChem CID 55911702) has the molecular formula C22H23Cl2N3O2S and a molecular weight of 464.42 g/mol. Its IUPAC name is (2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
PubChem CID55911702
Molecular FormulaC22H23Cl2N3O2S
Molecular Weight464.42 g/mol
Exact Mass463.09
IUPAC Name(2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cccnc2SC2CCCC2)CC1
InChIInChI=1S/C22H23Cl2N3O2S/c23-15-7-8-17(19(24)14-15)21(28)26-10-12-27(13-11-26)22(29)18-6-3-9-25-20(18)30-16-4-1-2-5-16/h3,6-9,14,16H,1-2,4-5,10-13H2
InChIKeyJKLCTXVDCSABNO-UHFFFAOYSA-N
XLogP5.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 51966370
(2-cyclopentylsulfanyl-3-pyridinyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone
CID 55881407
(4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 110363728
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872247
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091
(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 93208410
(2,4-dichlorophenyl)-(3-phenylazepan-1-yl)methanone
CID 121130881
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
(2,4-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809203

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone (CID 55911702) is (2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cccnc2SC2CCCC2)CC1.
What is the InChIKey of (2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is JKLCTXVDCSABNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2S/c23-15-7-8-17(19(24)14-15)21(28)26-10-12-27(13-11-26)22(29)18-6-3-9-25-20(18)30-16-4-1-2-5-16/h3,6-9,14,16H,1-2,4-5,10-13H2.
What are the key properties of (2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
(2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 464.42 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55911702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).