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

C22H29FN2O2 — CID 4186128

IUPAC1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(C2CCCC2)C(=O)CN1C1CCCCCC1
InChIInChI=1S/C22H29FN2O2/c23-17-13-11-16(12-14-17)21-22(27)24(18-7-3-1-2-4-8-18)15-20(26)25(21)19-9-5-6-10-19/h11-14,18-19,21H,1-10,15H2
InChIKeyRWUSPYQBKLLILW-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.20
Rot. Bonds3

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

1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione (PubChem CID 4186128) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
PubChem CID4186128
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(C2CCCC2)C(=O)CN1C1CCCCCC1
InChIInChI=1S/C22H29FN2O2/c23-17-13-11-16(12-14-17)21-22(27)24(18-7-3-1-2-4-8-18)15-20(26)25(21)19-9-5-6-10-19/h11-14,18-19,21H,1-10,15H2
InChIKeyRWUSPYQBKLLILW-UHFFFAOYSA-N
XLogP4.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione (CID 4186128) is 1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione is O=C1C(c2ccc(F)cc2)N(C2CCCC2)C(=O)CN1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The InChIKey is RWUSPYQBKLLILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c23-17-13-11-16(12-14-17)21-22(27)24(18-7-3-1-2-4-8-18)15-20(26)25(21)19-9-5-6-10-19/h11-14,18-19,21H,1-10,15H2.
What are the key properties of 1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione has a molecular weight of 372.48 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 4186128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).