(3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione

C27H28N2O2 — CID 7097601

IUPAC(3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione
SMILESCc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@H](c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C27H28N2O2/c1-18(2)21-13-15-22(16-14-21)26-27(31)28(25-19(3)9-8-10-20(25)4)17-24(30)29(26)23-11-6-5-7-12-23/h5-16,18,26H,17H2,1-4H3/t26-/m1/s1
InChIKeyIKRVSKOKJJXHDN-AREMUKBSSA-N
MW412.53 g/mol
LogP5.55
Rot. Bonds4

About (3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione

(3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione (PubChem CID 7097601) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is (3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione
PubChem CID7097601
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name(3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione
SMILESCc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@H](c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C27H28N2O2/c1-18(2)21-13-15-22(16-14-21)26-27(31)28(25-19(3)9-8-10-20(25)4)17-24(30)29(26)23-11-6-5-7-12-23/h5-16,18,26H,17H2,1-4H3/t26-/m1/s1
InChIKeyIKRVSKOKJJXHDN-AREMUKBSSA-N
XLogP5.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione?
The IUPAC name of (3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione (CID 7097601) is (3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione?
The canonical SMILES for (3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione is Cc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@H](c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of (3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione?
The InChIKey is IKRVSKOKJJXHDN-AREMUKBSSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-18(2)21-13-15-22(16-14-21)26-27(31)28(25-19(3)9-8-10-20(25)4)17-24(30)29(26)23-11-6-5-7-12-23/h5-16,18,26H,17H2,1-4H3/t26-/m1/s1.
What are the key properties of (3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione?
(3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione has a molecular weight of 412.53 g/mol, XLogP of 5.55, 4 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-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 7097601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).