3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione

C22H26N2O2 — CID 167594545

IUPAC3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(CN2C(=O)CN(C(C)C)C(=O)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-15(2)23-14-20(25)24(13-18-9-5-16(3)6-10-18)21(22(23)26)19-11-7-17(4)8-12-19/h5-12,15,21H,13-14H2,1-4H3
InChIKeyIWLVOLACUBQKED-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.62
Rot. Bonds4

About 3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione

3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione (PubChem CID 167594545) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione
PubChem CID167594545
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(CN2C(=O)CN(C(C)C)C(=O)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-15(2)23-14-20(25)24(13-18-9-5-16(3)6-10-18)21(22(23)26)19-11-7-17(4)8-12-19/h5-12,15,21H,13-14H2,1-4H3
InChIKeyIWLVOLACUBQKED-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione (CID 167594545) is 3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione is Cc1ccc(CN2C(=O)CN(C(C)C)C(=O)C2c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione?
The InChIKey is IWLVOLACUBQKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)23-14-20(25)24(13-18-9-5-16(3)6-10-18)21(22(23)26)19-11-7-17(4)8-12-19/h5-12,15,21H,13-14H2,1-4H3.
What are the key properties of 3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione?
3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione has a molecular weight of 350.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 167594545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).