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

C25H35FN2O2 — CID 5064257

IUPAC1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(C2CCCCCCC2)C(=O)CN1C1CCCCCC1
InChIInChI=1S/C25H35FN2O2/c26-20-16-14-19(15-17-20)24-25(30)27(21-10-6-4-5-7-11-21)18-23(29)28(24)22-12-8-2-1-3-9-13-22/h14-17,21-22,24H,1-13,18H2
InChIKeyBCNGXJBJTWGZGW-UHFFFAOYSA-N
MW414.57 g/mol
LogP5.37
Rot. Bonds3

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

1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione (PubChem CID 5064257) has the molecular formula C25H35FN2O2 and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione
PubChem CID5064257
Molecular FormulaC25H35FN2O2
Molecular Weight414.57 g/mol
Exact Mass414.27
IUPAC Name1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(C2CCCCCCC2)C(=O)CN1C1CCCCCC1
InChIInChI=1S/C25H35FN2O2/c26-20-16-14-19(15-17-20)24-25(30)27(21-10-6-4-5-7-11-21)18-23(29)28(24)22-12-8-2-1-3-9-13-22/h14-17,21-22,24H,1-13,18H2
InChIKeyBCNGXJBJTWGZGW-UHFFFAOYSA-N
XLogP5.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione (CID 5064257) is 1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione is O=C1C(c2ccc(F)cc2)N(C2CCCCCCC2)C(=O)CN1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The InChIKey is BCNGXJBJTWGZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN2O2/c26-20-16-14-19(15-17-20)24-25(30)27(21-10-6-4-5-7-11-21)18-23(29)28(24)22-12-8-2-1-3-9-13-22/h14-17,21-22,24H,1-13,18H2.
What are the key properties of 1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione?
1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione has a molecular weight of 414.57 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 5064257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).