1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one

C15H21NO3S — CID 82182034

IUPAC1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one
SMILESCC(C(=O)c1ccccc1)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C15H21NO3S/c1-12(15(17)14-5-3-2-4-6-14)20(18,19)11-13-7-9-16-10-8-13/h2-6,12-13,16H,7-11H2,1H3
InChIKeyNNVINZXSVGKSLV-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.67
Rot. Bonds5

About 1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one

1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one (PubChem CID 82182034) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one
PubChem CID82182034
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one
SMILESCC(C(=O)c1ccccc1)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C15H21NO3S/c1-12(15(17)14-5-3-2-4-6-14)20(18,19)11-13-7-9-16-10-8-13/h2-6,12-13,16H,7-11H2,1H3
InChIKeyNNVINZXSVGKSLV-UHFFFAOYSA-N
XLogP1.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one?
The IUPAC name of 1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one (CID 82182034) is 1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one.
What is the SMILES notation for 1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one?
The canonical SMILES for 1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one is CC(C(=O)c1ccccc1)S(=O)(=O)CC1CCNCC1.
What is the InChIKey of 1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one?
The InChIKey is NNVINZXSVGKSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12(15(17)14-5-3-2-4-6-14)20(18,19)11-13-7-9-16-10-8-13/h2-6,12-13,16H,7-11H2,1H3.
What are the key properties of 1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one?
1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one has a molecular weight of 295.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(piperidin-4-ylmethylsulfonyl)propan-1-one is sourced from PubChem (CID 82182034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).