(3S)-3-(3-methylphenyl)piperazin-2-one

C11H14N2O — CID 55252949

IUPAC(3S)-3-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc([C@@H]2NCCNC2=O)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(7-8)10-11(14)13-6-5-12-10/h2-4,7,10,12H,5-6H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyICJMNPIQRKAJNV-JTQLQIEISA-N
MW190.25 g/mol
LogP0.76
Rot. Bonds1

About (3S)-3-(3-methylphenyl)piperazin-2-one

(3S)-3-(3-methylphenyl)piperazin-2-one (PubChem CID 55252949) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (3S)-3-(3-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-(3-methylphenyl)piperazin-2-one
PubChem CID55252949
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(3S)-3-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc([C@@H]2NCCNC2=O)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(7-8)10-11(14)13-6-5-12-10/h2-4,7,10,12H,5-6H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyICJMNPIQRKAJNV-JTQLQIEISA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methylphenyl)piperazin-2-one?
The IUPAC name of (3S)-3-(3-methylphenyl)piperazin-2-one (CID 55252949) is (3S)-3-(3-methylphenyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-(3-methylphenyl)piperazin-2-one?
The canonical SMILES for (3S)-3-(3-methylphenyl)piperazin-2-one is Cc1cccc([C@@H]2NCCNC2=O)c1.
What is the InChIKey of (3S)-3-(3-methylphenyl)piperazin-2-one?
The InChIKey is ICJMNPIQRKAJNV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-2-4-9(7-8)10-11(14)13-6-5-12-10/h2-4,7,10,12H,5-6H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-3-(3-methylphenyl)piperazin-2-one?
(3S)-3-(3-methylphenyl)piperazin-2-one has a molecular weight of 190.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methylphenyl)piperazin-2-one is sourced from PubChem (CID 55252949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).