3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one

C19H22N2O3S — CID 110419968

IUPAC3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)CCCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H22N2O3S/c22-19-18(17-11-5-2-6-12-17)21(14-13-20-19)25(23,24)15-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,18H,7,10,13-15H2,(H,20,22)
InChIKeyWFNQBOIPNOXIEV-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.12
Rot. Bonds6

About 3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one

3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one (PubChem CID 110419968) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
PubChem CID110419968
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)CCCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H22N2O3S/c22-19-18(17-11-5-2-6-12-17)21(14-13-20-19)25(23,24)15-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,18H,7,10,13-15H2,(H,20,22)
InChIKeyWFNQBOIPNOXIEV-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one?
The IUPAC name of 3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one (CID 110419968) is 3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one.
What is the SMILES notation for 3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one?
The canonical SMILES for 3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one is O=C1NCCN(S(=O)(=O)CCCc2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one?
The InChIKey is WFNQBOIPNOXIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19-18(17-11-5-2-6-12-17)21(14-13-20-19)25(23,24)15-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,18H,7,10,13-15H2,(H,20,22).
What are the key properties of 3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one?
3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one has a molecular weight of 358.46 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one is sourced from PubChem (CID 110419968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).