2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone

C19H25ClN2O2S — CID 112767092

IUPAC2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(CSc1ccc(Cl)cc1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H25ClN2O2S/c20-16-4-6-17(7-5-16)25-14-18(23)21-12-8-15(9-13-21)19(24)22-10-2-1-3-11-22/h4-7,15H,1-3,8-14H2
InChIKeyLGUAJYSCJUGJDI-UHFFFAOYSA-N
MW380.94 g/mol
LogP3.68
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone

2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 112767092) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID112767092
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(CSc1ccc(Cl)cc1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H25ClN2O2S/c20-16-4-6-17(7-5-16)25-14-18(23)21-12-8-15(9-13-21)19(24)22-10-2-1-3-11-22/h4-7,15H,1-3,8-14H2
InChIKeyLGUAJYSCJUGJDI-UHFFFAOYSA-N
XLogP3.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone (CID 112767092) is 2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone is O=C(CSc1ccc(Cl)cc1)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is LGUAJYSCJUGJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2S/c20-16-4-6-17(7-5-16)25-14-18(23)21-12-8-15(9-13-21)19(24)22-10-2-1-3-11-22/h4-7,15H,1-3,8-14H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone?
2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 380.94 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 112767092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).