1-(2-methylphenyl)-4-phenylpiperazin-2-one

C17H18N2O — CID 91159394

IUPAC1-(2-methylphenyl)-4-phenylpiperazin-2-one
SMILESCc1ccccc1N1CCN(c2ccccc2)CC1=O
InChIInChI=1S/C17H18N2O/c1-14-7-5-6-10-16(14)19-12-11-18(13-17(19)20)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3
InChIKeyJSQRCNQJZXCWLH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.85
Rot. Bonds2

About 1-(2-methylphenyl)-4-phenylpiperazin-2-one

1-(2-methylphenyl)-4-phenylpiperazin-2-one (PubChem CID 91159394) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-phenylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-phenylpiperazin-2-one
PubChem CID91159394
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(2-methylphenyl)-4-phenylpiperazin-2-one
SMILESCc1ccccc1N1CCN(c2ccccc2)CC1=O
InChIInChI=1S/C17H18N2O/c1-14-7-5-6-10-16(14)19-12-11-18(13-17(19)20)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3
InChIKeyJSQRCNQJZXCWLH-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-4-(2-phenylbenzoyl)piperazin-2-one
CID 70760494
(3S)-1-(2-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 896564
4-(2-methylphenyl)-1,4-diazepan-5-one
CID 45096923
1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
CID 70741081
4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
CID 96571606
1-(2-methylphenyl)azepane-2,4-dione
CID 139237469
3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
CID 3041006
1-(2-methylphenyl)-1,4-diazepan-2-one
CID 82282881
4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70746172
1-(2-methylphenyl)pyrrolidin-3-one
CID 23052785
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
3-acetyl-1-(2-methylphenyl)imidazolidine-2,4-dione
CID 154168630

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-phenylpiperazin-2-one?
The IUPAC name of 1-(2-methylphenyl)-4-phenylpiperazin-2-one (CID 91159394) is 1-(2-methylphenyl)-4-phenylpiperazin-2-one.
What is the SMILES notation for 1-(2-methylphenyl)-4-phenylpiperazin-2-one?
The canonical SMILES for 1-(2-methylphenyl)-4-phenylpiperazin-2-one is Cc1ccccc1N1CCN(c2ccccc2)CC1=O.
What is the InChIKey of 1-(2-methylphenyl)-4-phenylpiperazin-2-one?
The InChIKey is JSQRCNQJZXCWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-14-7-5-6-10-16(14)19-12-11-18(13-17(19)20)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-phenylpiperazin-2-one?
1-(2-methylphenyl)-4-phenylpiperazin-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-phenylpiperazin-2-one is sourced from PubChem (CID 91159394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).