(3S)-3-methyl-3-phenylpiperazin-2-one

C11H14N2O — CID 94410308

IUPAC(3S)-3-methyl-3-phenylpiperazin-2-one
SMILESC[C@@]1(c2ccccc2)NCCNC1=O
InChIInChI=1S/C11H14N2O/c1-11(9-5-3-2-4-6-9)10(14)12-7-8-13-11/h2-6,13H,7-8H2,1H3,(H,12,14)/t11-/m0/s1
InChIKeyRGIMHSYGBHHKDJ-NSHDSACASA-N
MW190.25 g/mol
LogP0.62
Rot. Bonds1

About (3S)-3-methyl-3-phenylpiperazin-2-one

(3S)-3-methyl-3-phenylpiperazin-2-one (PubChem CID 94410308) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (3S)-3-methyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-3-phenylpiperazin-2-one
PubChem CID94410308
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(3S)-3-methyl-3-phenylpiperazin-2-one
SMILESC[C@@]1(c2ccccc2)NCCNC1=O
InChIInChI=1S/C11H14N2O/c1-11(9-5-3-2-4-6-9)10(14)12-7-8-13-11/h2-6,13H,7-8H2,1H3,(H,12,14)/t11-/m0/s1
InChIKeyRGIMHSYGBHHKDJ-NSHDSACASA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-3-methylpiperazin-2-one
CID 62352450
3-methyl-3-thiophen-2-ylpiperazin-2-one
CID 14501227
(3S)-3-ethyl-3-phenylpiperazin-2-one
CID 94410316
3-cyclopropyl-3-phenylpiperazin-2-one
CID 62351226
3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one
CID 62349810
(3S)-3-methyl-3-phenylazetidin-2-one
CID 10329577
3-benzyl-3-phenylpiperazin-2-one
CID 62352459
(4R)-4-methyl-4-phenyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95989754
3,3-dimethylpiperazin-2-one;ethane
CID 91488380
(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 10220811
(5S)-5-methyl-5-phenylpyrrolidine-2,4-dione
CID 91421764
3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one
CID 15306193

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-phenylpiperazin-2-one?
The IUPAC name of (3S)-3-methyl-3-phenylpiperazin-2-one (CID 94410308) is (3S)-3-methyl-3-phenylpiperazin-2-one.
What is the SMILES notation for (3S)-3-methyl-3-phenylpiperazin-2-one?
The canonical SMILES for (3S)-3-methyl-3-phenylpiperazin-2-one is C[C@@]1(c2ccccc2)NCCNC1=O.
What is the InChIKey of (3S)-3-methyl-3-phenylpiperazin-2-one?
The InChIKey is RGIMHSYGBHHKDJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(9-5-3-2-4-6-9)10(14)12-7-8-13-11/h2-6,13H,7-8H2,1H3,(H,12,14)/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-3-phenylpiperazin-2-one?
(3S)-3-methyl-3-phenylpiperazin-2-one has a molecular weight of 190.25 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 94410308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).