(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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Related Compounds

3-naphthalen-2-ylpiperazin-2-one
CID 62349991
2-methyl-3-(3-methylphenyl)piperazine
CID 116829299
3-(3-methylphenyl)-4-methylsulfonylpiperazin-2-one
CID 110657603
4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79437017
3-(2,6-dichlorophenyl)piperazin-2-one
CID 62352120
(6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one
CID 175383722
6-(3-methylphenyl)-1,3-oxazinan-2-one
CID 105444857
5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one
CID 82289120
3-(6-methylquinolin-4-yl)piperazin-2-one
CID 82664178
(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 69282063
3-thiophen-3-ylpiperazin-2-one
CID 62352453
2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one
CID 81416308

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).