(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one

C25H24N2O2 — CID 93323612

IUPAC(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one
SMILESCc1cccc(C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)[C@H]2C)c1
InChIInChI=1S/C25H24N2O2/c1-18-9-8-12-21(17-18)25(29)26-15-16-27(24(28)19(26)2)23-14-7-6-13-22(23)20-10-4-3-5-11-20/h3-14,17,19H,15-16H2,1-2H3/t19-/m1/s1
InChIKeyLMAMRQMLLBCVRP-LJQANCHMSA-N
MW384.48 g/mol
LogP4.54
Rot. Bonds3

About (3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one

(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one (PubChem CID 93323612) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one
PubChem CID93323612
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one
SMILESCc1cccc(C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)[C@H]2C)c1
InChIInChI=1S/C25H24N2O2/c1-18-9-8-12-21(17-18)25(29)26-15-16-27(24(28)19(26)2)23-14-7-6-13-22(23)20-10-4-3-5-11-20/h3-14,17,19H,15-16H2,1-2H3/t19-/m1/s1
InChIKeyLMAMRQMLLBCVRP-LJQANCHMSA-N
XLogP4.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 46036538
4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 42847436
(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 93322816
3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 46036208
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
1-(2,4-dimethylphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24716392
(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 93292424
(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321676
1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 24716617
(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322176
(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322783

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one?
The IUPAC name of (3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one (CID 93323612) is (3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one?
The canonical SMILES for (3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one is Cc1cccc(C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)[C@H]2C)c1.
What is the InChIKey of (3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one?
The InChIKey is LMAMRQMLLBCVRP-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18-9-8-12-21(17-18)25(29)26-15-16-27(24(28)19(26)2)23-14-7-6-13-22(23)20-10-4-3-5-11-20/h3-14,17,19H,15-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one?
(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one has a molecular weight of 384.48 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 93323612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).