[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone

C17H15ClFNO2S — CID 69455246

IUPAC[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C17H15ClFNO2S/c18-15-8-7-14(23-15)17(22)20-9-1-2-12(10-20)16(21)11-3-5-13(19)6-4-11/h3-8,12H,1-2,9-10H2/t12-/m0/s1
InChIKeyVVOQFIFAMZQWNK-LBPRGKRZSA-N
MW351.83 g/mol
LogP4.28
Rot. Bonds3

About [(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone

[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 69455246) has the molecular formula C17H15ClFNO2S and a molecular weight of 351.83 g/mol. Its IUPAC name is [(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID69455246
Molecular FormulaC17H15ClFNO2S
Molecular Weight351.83 g/mol
Exact Mass351.05
IUPAC Name[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C17H15ClFNO2S/c18-15-8-7-14(23-15)17(22)20-9-1-2-12(10-20)16(21)11-3-5-13(19)6-4-11/h3-8,12H,1-2,9-10H2/t12-/m0/s1
InChIKeyVVOQFIFAMZQWNK-LBPRGKRZSA-N
XLogP4.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone (CID 69455246) is [(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of [(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is VVOQFIFAMZQWNK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15ClFNO2S/c18-15-8-7-14(23-15)17(22)20-9-1-2-12(10-20)16(21)11-3-5-13(19)6-4-11/h3-8,12H,1-2,9-10H2/t12-/m0/s1.
What are the key properties of [(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 351.83 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 69455246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).