4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione

C22H30N2O2 — CID 5195087

IUPAC4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCC3)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C22H30N2O2/c1-16-11-13-17(14-12-16)21-22(26)23(18-7-5-6-8-18)15-20(25)24(21)19-9-3-2-4-10-19/h11-14,18-19,21H,2-10,15H2,1H3
InChIKeyDYWUIJBKVBTODJ-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.98
Rot. Bonds3

About 4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione

4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione (PubChem CID 5195087) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione
PubChem CID5195087
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCC3)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C22H30N2O2/c1-16-11-13-17(14-12-16)21-22(26)23(18-7-5-6-8-18)15-20(25)24(21)19-9-3-2-4-10-19/h11-14,18-19,21H,2-10,15H2,1H3
InChIKeyDYWUIJBKVBTODJ-UHFFFAOYSA-N
XLogP3.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione (CID 5195087) is 4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione is Cc1ccc(C2C(=O)N(C3CCCC3)CC(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione?
The InChIKey is DYWUIJBKVBTODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16-11-13-17(14-12-16)21-22(26)23(18-7-5-6-8-18)15-20(25)24(21)19-9-3-2-4-10-19/h11-14,18-19,21H,2-10,15H2,1H3.
What are the key properties of 4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione?
4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione has a molecular weight of 354.49 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 5195087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).