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

C20H26N2O2 — CID 3523283

IUPAC1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-14-7-9-15(10-8-14)19-20(24)21(16-5-3-2-4-6-16)13-18(23)22(19)17-11-12-17/h7-10,16-17,19H,2-6,11-13H2,1H3
InChIKeyXGTSJPLTAJFATH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.20
Rot. Bonds3

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

1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione (PubChem CID 3523283) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
PubChem CID3523283
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-14-7-9-15(10-8-14)19-20(24)21(16-5-3-2-4-6-16)13-18(23)22(19)17-11-12-17/h7-10,16-17,19H,2-6,11-13H2,1H3
InChIKeyXGTSJPLTAJFATH-UHFFFAOYSA-N
XLogP3.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione (CID 3523283) is 1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione is Cc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
The InChIKey is XGTSJPLTAJFATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-7-9-15(10-8-14)19-20(24)21(16-5-3-2-4-6-16)13-18(23)22(19)17-11-12-17/h7-10,16-17,19H,2-6,11-13H2,1H3.
What are the key properties of 1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione has a molecular weight of 326.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 3523283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).