2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone

C19H21ClN2OS — CID 71800706

IUPAC2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(CSc2ccccn2)CC1
InChIInChI=1S/C19H21ClN2OS/c20-17-6-2-1-5-16(17)13-19(23)22-11-8-15(9-12-22)14-24-18-7-3-4-10-21-18/h1-7,10,15H,8-9,11-14H2
InChIKeyPMASTWQMXFEPAE-UHFFFAOYSA-N
MW360.91 g/mol
LogP4.31
Rot. Bonds5

About 2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone (PubChem CID 71800706) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone
PubChem CID71800706
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(CSc2ccccn2)CC1
InChIInChI=1S/C19H21ClN2OS/c20-17-6-2-1-5-16(17)13-19(23)22-11-8-15(9-12-22)14-24-18-7-3-4-10-21-18/h1-7,10,15H,8-9,11-14H2
InChIKeyPMASTWQMXFEPAE-UHFFFAOYSA-N
XLogP4.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone (CID 71800706) is 2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCC(CSc2ccccn2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone?
The InChIKey is PMASTWQMXFEPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c20-17-6-2-1-5-16(17)13-19(23)22-11-8-15(9-12-22)14-24-18-7-3-4-10-21-18/h1-7,10,15H,8-9,11-14H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone has a molecular weight of 360.91 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71800706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).