(3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione

C25H24N2O2 — CID 7692921

IUPAC(3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione
SMILESCc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-17-12-14-21(15-13-17)27-22(28)16-26(23-18(2)8-7-9-19(23)3)25(29)24(27)20-10-5-4-6-11-20/h4-15,24H,16H2,1-3H3/t24-/m1/s1
InChIKeyVBYGJSLDLSZXQR-XMMPIXPASA-N
MW384.48 g/mol
LogP4.73
Rot. Bonds3

About (3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione

(3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione (PubChem CID 7692921) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione
PubChem CID7692921
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione
SMILESCc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-17-12-14-21(15-13-17)27-22(28)16-26(23-18(2)8-7-9-19(23)3)25(29)24(27)20-10-5-4-6-11-20/h4-15,24H,16H2,1-3H3/t24-/m1/s1
InChIKeyVBYGJSLDLSZXQR-XMMPIXPASA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 7097601
1-(4-methylphenyl)-6-phenylpiperazine-2,5-dione
CID 64959343
(3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione
CID 7693734
(3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione
CID 7693694
(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
CID 14084640
(3S)-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)piperazine-2,5-dione
CID 40944392
2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 3825974
(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one
CID 101124325
1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one
CID 117014191
5-(4-methylphenyl)-1-phenylimidazolidine-2,4-dione
CID 23244322
3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one
CID 146164427

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione?
The IUPAC name of (3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione (CID 7692921) is (3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione?
The canonical SMILES for (3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione is Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione?
The InChIKey is VBYGJSLDLSZXQR-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17-12-14-21(15-13-17)27-22(28)16-26(23-18(2)8-7-9-19(23)3)25(29)24(27)20-10-5-4-6-11-20/h4-15,24H,16H2,1-3H3/t24-/m1/s1.
What are the key properties of (3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione?
(3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione has a molecular weight of 384.48 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 7692921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).