1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one

C18H24N2O2S — CID 71848097

IUPAC1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one
SMILESO=C(CSc1ccccc1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C18H24N2O2S/c21-17-8-4-5-11-20(17)15-9-12-19(13-10-15)18(22)14-23-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14H2
InChIKeyJRBGZJSBRUFAJU-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.78
Rot. Bonds4

About 1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one

1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one (PubChem CID 71848097) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one
PubChem CID71848097
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one
SMILESO=C(CSc1ccccc1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C18H24N2O2S/c21-17-8-4-5-11-20(17)15-9-12-19(13-10-15)18(22)14-23-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14H2
InChIKeyJRBGZJSBRUFAJU-UHFFFAOYSA-N
XLogP2.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one (CID 71848097) is 1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one is O=C(CSc1ccccc1)N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of 1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one?
The InChIKey is JRBGZJSBRUFAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c21-17-8-4-5-11-20(17)15-9-12-19(13-10-15)18(22)14-23-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14H2.
What are the key properties of 1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one?
1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one has a molecular weight of 332.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 71848097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).