1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one

C13H21NO3S — CID 64638985

IUPAC1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CS(=O)CC2CCCC2)CC1
InChIInChI=1S/C13H21NO3S/c15-12-5-7-14(8-6-12)13(16)10-18(17)9-11-3-1-2-4-11/h11H,1-10H2
InChIKeyWFHREMCEGLLMJE-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.12
Rot. Bonds4

About 1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one

1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one (PubChem CID 64638985) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one
PubChem CID64638985
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CS(=O)CC2CCCC2)CC1
InChIInChI=1S/C13H21NO3S/c15-12-5-7-14(8-6-12)13(16)10-18(17)9-11-3-1-2-4-11/h11H,1-10H2
InChIKeyWFHREMCEGLLMJE-UHFFFAOYSA-N
XLogP1.12
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513680
1-[2-(oxan-4-ylsulfinyl)acetyl]piperidin-4-one
CID 64640780
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388
1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one
CID 62024607
2-(cyclopentylmethylsulfinyl)-1-phenylethanone
CID 64640784
3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one
CID 114236355
1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
1-propanoylazepan-4-one
CID 18675736
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 79181005
1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one
CID 55209746
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one
CID 43426130

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one (CID 64638985) is 1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one is O=C1CCN(C(=O)CS(=O)CC2CCCC2)CC1.
What is the InChIKey of 1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one?
The InChIKey is WFHREMCEGLLMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c15-12-5-7-14(8-6-12)13(16)10-18(17)9-11-3-1-2-4-11/h11H,1-10H2.
What are the key properties of 1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one?
1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one has a molecular weight of 271.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethylsulfinyl)acetyl]piperidin-4-one is sourced from PubChem (CID 64638985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).