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

C25H29FN2O2 — CID 3292138

IUPAC1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(CCc2ccccc2)C(=O)CN1C1CCCCCC1
InChIInChI=1S/C25H29FN2O2/c26-21-14-12-20(13-15-21)24-25(30)28(22-10-6-1-2-7-11-22)18-23(29)27(24)17-16-19-8-4-3-5-9-19/h3-5,8-9,12-15,22,24H,1-2,6-7,10-11,16-18H2
InChIKeyZYZSQQLXKCUBEG-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.50
Rot. Bonds5

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

1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione (PubChem CID 3292138) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione
PubChem CID3292138
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC Name1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(CCc2ccccc2)C(=O)CN1C1CCCCCC1
InChIInChI=1S/C25H29FN2O2/c26-21-14-12-20(13-15-21)24-25(30)28(22-10-6-1-2-7-11-22)18-23(29)27(24)17-16-19-8-4-3-5-9-19/h3-5,8-9,12-15,22,24H,1-2,6-7,10-11,16-18H2
InChIKeyZYZSQQLXKCUBEG-UHFFFAOYSA-N
XLogP4.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4891
Arpraziquantel
CID 445900
Epsiprantel
CID 72026
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CID 885644
Figopitant
CID 9914857
(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 5494385
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
(3S,4S)-1-[amino(oxo)acetyl]-N-{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 25027805
(3S,4S)-1-[amino(oxo)acetyl]-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 57402221

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione (CID 3292138) is 1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione is O=C1C(c2ccc(F)cc2)N(CCc2ccccc2)C(=O)CN1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione?
The InChIKey is ZYZSQQLXKCUBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c26-21-14-12-20(13-15-21)24-25(30)28(22-10-6-1-2-7-11-22)18-23(29)27(24)17-16-19-8-4-3-5-9-19/h3-5,8-9,12-15,22,24H,1-2,6-7,10-11,16-18H2.
What are the key properties of 1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione?
1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione has a molecular weight of 408.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione is sourced from PubChem (CID 3292138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).