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

C21H27FN2O2 — CID 3553510

IUPAC1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(C2CCCC2)C(=O)CN1C1CCCCC1
InChIInChI=1S/C21H27FN2O2/c22-16-12-10-15(11-13-16)20-21(26)23(17-6-2-1-3-7-17)14-19(25)24(20)18-8-4-5-9-18/h10-13,17-18,20H,1-9,14H2
InChIKeyDDNBWUFEHNZDHP-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.81
Rot. Bonds3

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

1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione (PubChem CID 3553510) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
PubChem CID3553510
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(C2CCCC2)C(=O)CN1C1CCCCC1
InChIInChI=1S/C21H27FN2O2/c22-16-12-10-15(11-13-16)20-21(26)23(17-6-2-1-3-7-17)14-19(25)24(20)18-8-4-5-9-18/h10-13,17-18,20H,1-9,14H2
InChIKeyDDNBWUFEHNZDHP-UHFFFAOYSA-N
XLogP3.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The IUPAC name of 1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione (CID 3553510) is 1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione is O=C1C(c2ccc(F)cc2)N(C2CCCC2)C(=O)CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The InChIKey is DDNBWUFEHNZDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c22-16-12-10-15(11-13-16)20-21(26)23(17-6-2-1-3-7-17)14-19(25)24(20)18-8-4-5-9-18/h10-13,17-18,20H,1-9,14H2.
What are the key properties of 1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione has a molecular weight of 358.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 3553510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).