1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one

C13H14FNO2S — CID 43218133

IUPAC1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO2S/c14-10-1-3-12(4-2-10)18-9-13(17)15-7-5-11(16)6-8-15/h1-4H,5-9H2
InChIKeyHRMAQXQFCZUAFA-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.11
Rot. Bonds3

About 1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one

1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one (PubChem CID 43218133) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one
PubChem CID43218133
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO2S/c14-10-1-3-12(4-2-10)18-9-13(17)15-7-5-11(16)6-8-15/h1-4H,5-9H2
InChIKeyHRMAQXQFCZUAFA-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
2-[(4-Fluorophenyl)sulfanyl]-1-morpholino-1-ethanone
CID 1486398
AC1Lgqzx
CID 875426
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 51072581
2-(4-Fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2200156
3-Phenylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 45505203
2-((4-Fluorophenyl)thio)-1-(4-(methylsulfonyl)piperidin-1-yl)ethanone
CID 86264206
1-(4-Methylpiperazin-1-yl)-3-(phenylsulfanyl)propan-1-one
CID 7369393
S-(4-fluorophenyl) piperidine-1-carbothioate
CID 135024913
1-(3,5-Dimethylpiperidin-1-yl)-2-phenylsulfanylethanone
CID 2916137
1-(2,6-Dimethylpiperidin-1-yl)-2-phenylsulfanylethanone
CID 5140714
3-(Phenylthio)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 56764648

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one (CID 43218133) is 1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one is O=C1CCN(C(=O)CSc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one?
The InChIKey is HRMAQXQFCZUAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c14-10-1-3-12(4-2-10)18-9-13(17)15-7-5-11(16)6-8-15/h1-4H,5-9H2.
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one?
1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one has a molecular weight of 267.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-one is sourced from PubChem (CID 43218133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).