1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone

C17H23FN2OS — CID 119940114

IUPAC1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C17H23FN2OS/c18-14-6-4-13(5-7-14)16-3-1-2-9-20(16)17(21)11-15-12-22-10-8-19-15/h4-7,15-16,19H,1-3,8-12H2
InChIKeyIORATVVSKOGUBW-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.97
Rot. Bonds3

About 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone

1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone (PubChem CID 119940114) has the molecular formula C17H23FN2OS and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
PubChem CID119940114
Molecular FormulaC17H23FN2OS
Molecular Weight322.45 g/mol
Exact Mass322.15
IUPAC Name1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C17H23FN2OS/c18-14-6-4-13(5-7-14)16-3-1-2-9-20(16)17(21)11-15-12-22-10-8-19-15/h4-7,15-16,19H,1-3,8-12H2
InChIKeyIORATVVSKOGUBW-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119935933
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936713
1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119939972
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66420023
7-phenyl-1-(2-thiomorpholin-3-ylacetyl)-1,4-diazepan-5-one;hydrochloride
CID 119937231
1-[2-(4-chlorophenyl)azepan-1-yl]-2-pyrrolidin-2-ylethanone
CID 119792751
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
1-[3-(4-chlorophenyl)thiomorpholin-4-yl]-2-pyrrolidin-2-ylethanone
CID 119793282
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937739
3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
CID 124890583
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119939285

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone (CID 119940114) is 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The InChIKey is IORATVVSKOGUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2OS/c18-14-6-4-13(5-7-14)16-3-1-2-9-20(16)17(21)11-15-12-22-10-8-19-15/h4-7,15-16,19H,1-3,8-12H2.
What are the key properties of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone has a molecular weight of 322.45 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 119940114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).