(3S)-4-methyl-3-phenylpiperazin-2-one

C11H14N2O — CID 86327207

IUPAC(3S)-4-methyl-3-phenylpiperazin-2-one
SMILESCN1CCNC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C11H14N2O/c1-13-8-7-12-11(14)10(13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyKUVJOLVZDVEQGN-JTQLQIEISA-N
MW190.25 g/mol
LogP0.79
Rot. Bonds1

About (3S)-4-methyl-3-phenylpiperazin-2-one

(3S)-4-methyl-3-phenylpiperazin-2-one (PubChem CID 86327207) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (3S)-4-methyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-methyl-3-phenylpiperazin-2-one
PubChem CID86327207
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(3S)-4-methyl-3-phenylpiperazin-2-one
SMILESCN1CCNC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C11H14N2O/c1-13-8-7-12-11(14)10(13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyKUVJOLVZDVEQGN-JTQLQIEISA-N
XLogP0.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-pyridin-2-ylpiperazin-2-one
CID 168921321
4-[2-(benzenesulfonyl)ethyl]-3-phenylpiperazin-2-one
CID 122137342
1-methyl-8-phenyl-1,4-diazocan-5-one
CID 86192713
cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119958
2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95152464
4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one
CID 146105104
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985
3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one
CID 110419953
4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one
CID 69101897
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one
CID 167795573

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-3-phenylpiperazin-2-one?
The IUPAC name of (3S)-4-methyl-3-phenylpiperazin-2-one (CID 86327207) is (3S)-4-methyl-3-phenylpiperazin-2-one.
What is the SMILES notation for (3S)-4-methyl-3-phenylpiperazin-2-one?
The canonical SMILES for (3S)-4-methyl-3-phenylpiperazin-2-one is CN1CCNC(=O)[C@@H]1c1ccccc1.
What is the InChIKey of (3S)-4-methyl-3-phenylpiperazin-2-one?
The InChIKey is KUVJOLVZDVEQGN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-8-7-12-11(14)10(13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,12,14)/t10-/m0/s1.
What are the key properties of (3S)-4-methyl-3-phenylpiperazin-2-one?
(3S)-4-methyl-3-phenylpiperazin-2-one has a molecular weight of 190.25 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 86327207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).