3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one

C15H20FNO3S — CID 52602246

IUPAC3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCS(=O)(=O)Cc1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C15H20FNO3S/c16-14-6-4-5-13(11-14)12-21(19,20)10-7-15(18)17-8-2-1-3-9-17/h4-6,11H,1-3,7-10,12H2
InChIKeyDCGNXDZHDRAYEA-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.14
Rot. Bonds5

About 3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one

3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one (PubChem CID 52602246) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one
PubChem CID52602246
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCS(=O)(=O)Cc1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C15H20FNO3S/c16-14-6-4-5-13(11-14)12-21(19,20)10-7-15(18)17-8-2-1-3-9-17/h4-6,11H,1-3,7-10,12H2
InChIKeyDCGNXDZHDRAYEA-UHFFFAOYSA-N
XLogP2.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one (CID 52602246) is 3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one is O=C(CCS(=O)(=O)Cc1cccc(F)c1)N1CCCCC1.
What is the InChIKey of 3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is DCGNXDZHDRAYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c16-14-6-4-5-13(11-14)12-21(19,20)10-7-15(18)17-8-2-1-3-9-17/h4-6,11H,1-3,7-10,12H2.
What are the key properties of 3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one?
3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 313.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 52602246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).