1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one

C18H23FN2O2S — CID 24819164

IUPAC1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCSCC2)CN1CCc1cccc(F)c1
InChIInChI=1S/C18H23FN2O2S/c19-16-3-1-2-14(12-16)6-7-21-13-15(4-5-17(21)22)18(23)20-8-10-24-11-9-20/h1-3,12,15H,4-11,13H2
InChIKeyCDOYPNAMHNOLJP-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.18
Rot. Bonds4

About 1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one

1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one (PubChem CID 24819164) has the molecular formula C18H23FN2O2S and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one
PubChem CID24819164
Molecular FormulaC18H23FN2O2S
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCSCC2)CN1CCc1cccc(F)c1
InChIInChI=1S/C18H23FN2O2S/c19-16-3-1-2-14(12-16)6-7-21-13-15(4-5-17(21)22)18(23)20-8-10-24-11-9-20/h1-3,12,15H,4-11,13H2
InChIKeyCDOYPNAMHNOLJP-UHFFFAOYSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzylsulfonyl)-3-(1-piperidinylcarbonyl)piperidine
CID 3242176
1-[2-(3-Fluorophenyl)ethyl]-5-[(4-methoxy-1-piperidinyl)carbonyl]-2-piperidinone
CID 24790276
1-[2-(3-Fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one
CID 24793260
N-{[1-({1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinyl}carbonyl)-4-piperidinyl]methyl}acetamide
CID 24794305
1-[2-(3-Fluorophenyl)ethyl]-5-(1-pyrrolidinylcarbonyl)-2-piperidinone
CID 24816833
1-Cyclopropyl-5-({4-[(3-methylphenyl)thio]-1-piperidinyl}carbonyl)-2-piperidinone
CID 24790884
1-(3-Phenylpropyl)-3-(1-piperidinylcarbonyl)piperidine
CID 3600202
1-Cyclopropyl-5-({4-[(4-methylphenyl)thio]-1-piperidinyl}carbonyl)-2-piperidinone
CID 24790709
3-[2-(2-Fluorophenyl)ethyl]-1-[3-(methylthio)propanoyl]piperidine
CID 45187930
N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 45251290
Ketone, 1-phenethyl-3-piperidyl piperidino
CID 218424
[1-(2-Fluorobenzyl)piperidin-3-yl](piperidin-1-yl)methanone
CID 3718342

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one (CID 24819164) is 1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCSCC2)CN1CCc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The InChIKey is CDOYPNAMHNOLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S/c19-16-3-1-2-14(12-16)6-7-21-13-15(4-5-17(21)22)18(23)20-8-10-24-11-9-20/h1-3,12,15H,4-11,13H2.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one has a molecular weight of 350.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one is sourced from PubChem (CID 24819164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).