4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione

C21H28N2O2 — CID 3243994

IUPAC4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-14-3-7-16(8-4-14)20-21(25)22(17-9-5-15(2)6-10-17)13-19(24)23(20)18-11-12-18/h3-4,7-8,15,17-18,20H,5-6,9-13H2,1-2H3
InChIKeyYJWBBVQXUJDLPD-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.45
Rot. Bonds3

About 4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione

4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione (PubChem CID 3243994) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione
PubChem CID3243994
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-14-3-7-16(8-4-14)20-21(25)22(17-9-5-15(2)6-10-17)13-19(24)23(20)18-11-12-18/h3-4,7-8,15,17-18,20H,5-6,9-13H2,1-2H3
InChIKeyYJWBBVQXUJDLPD-UHFFFAOYSA-N
XLogP3.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione (CID 3243994) is 4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione is Cc1ccc(C2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CC2)cc1.
What is the InChIKey of 4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione?
The InChIKey is YJWBBVQXUJDLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14-3-7-16(8-4-14)20-21(25)22(17-9-5-15(2)6-10-17)13-19(24)23(20)18-11-12-18/h3-4,7-8,15,17-18,20H,5-6,9-13H2,1-2H3.
What are the key properties of 4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione?
4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione has a molecular weight of 340.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 3243994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).