3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one

C25H26N2O — CID 42847308

IUPAC3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one
SMILESCc1ccccc1CN1CCN(c2ccccc2-c2ccccc2)C(=O)C1C
InChIInChI=1S/C25H26N2O/c1-19-10-6-7-13-22(19)18-26-16-17-27(25(28)20(26)2)24-15-9-8-14-23(24)21-11-4-3-5-12-21/h3-15,20H,16-18H2,1-2H3
InChIKeyBCBAKHTWAMOYGW-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.90
Rot. Bonds4

About 3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one

3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one (PubChem CID 42847308) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one
PubChem CID42847308
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one
SMILESCc1ccccc1CN1CCN(c2ccccc2-c2ccccc2)C(=O)C1C
InChIInChI=1S/C25H26N2O/c1-19-10-6-7-13-22(19)18-26-16-17-27(25(28)20(26)2)24-15-9-8-14-23(24)21-11-4-3-5-12-21/h3-15,20H,16-18H2,1-2H3
InChIKeyBCBAKHTWAMOYGW-UHFFFAOYSA-N
XLogP4.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321370
(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 93322523
(3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321351
(3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93290632
(3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321027
1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 46035875
4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716569
(3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one
CID 93322662
4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 42847436
(3R)-4-[(3-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322431
(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one
CID 93323612
1-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 24716577

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one (CID 42847308) is 3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one is Cc1ccccc1CN1CCN(c2ccccc2-c2ccccc2)C(=O)C1C.
What is the InChIKey of 3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one?
The InChIKey is BCBAKHTWAMOYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-19-10-6-7-13-22(19)18-26-16-17-27(25(28)20(26)2)24-15-9-8-14-23(24)21-11-4-3-5-12-21/h3-15,20H,16-18H2,1-2H3.
What are the key properties of 3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one?
3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one has a molecular weight of 370.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 42847308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).