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

C23H31FN2O2 — CID 3287146

IUPAC1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(C2CCCCC2)C(=O)CN1C1CCCCCC1
InChIInChI=1S/C23H31FN2O2/c24-18-14-12-17(13-15-18)22-23(28)25(19-8-4-1-2-5-9-19)16-21(27)26(22)20-10-6-3-7-11-20/h12-15,19-20,22H,1-11,16H2
InChIKeyPUKYJVZXEWOWLZ-UHFFFAOYSA-N
MW386.51 g/mol
LogP4.59
Rot. Bonds3

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

1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione (PubChem CID 3287146) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
PubChem CID3287146
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC Name1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(C2CCCCC2)C(=O)CN1C1CCCCCC1
InChIInChI=1S/C23H31FN2O2/c24-18-14-12-17(13-15-18)22-23(28)25(19-8-4-1-2-5-9-19)16-21(27)26(22)20-10-6-3-7-11-20/h12-15,19-20,22H,1-11,16H2
InChIKeyPUKYJVZXEWOWLZ-UHFFFAOYSA-N
XLogP4.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione (CID 3287146) is 1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione is O=C1C(c2ccc(F)cc2)N(C2CCCCC2)C(=O)CN1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The InChIKey is PUKYJVZXEWOWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2/c24-18-14-12-17(13-15-18)22-23(28)25(19-8-4-1-2-5-9-19)16-21(27)26(22)20-10-6-3-7-11-20/h12-15,19-20,22H,1-11,16H2.
What are the key properties of 1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione has a molecular weight of 386.51 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 3287146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).