1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione

C20H27FN2O2 — CID 3244804

IUPAC1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccccc1F
InChIInChI=1S/C20H27FN2O2/c1-14(2)23-18(24)13-22(15-9-5-3-4-6-10-15)20(25)19(23)16-11-7-8-12-17(16)21/h7-8,11-12,14-15,19H,3-6,9-10,13H2,1-2H3
InChIKeyCUJRBIFTUCZBOF-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.67
Rot. Bonds3

About 1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione

1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione (PubChem CID 3244804) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione
PubChem CID3244804
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccccc1F
InChIInChI=1S/C20H27FN2O2/c1-14(2)23-18(24)13-22(15-9-5-3-4-6-10-15)20(25)19(23)16-11-7-8-12-17(16)21/h7-8,11-12,14-15,19H,3-6,9-10,13H2,1-2H3
InChIKeyCUJRBIFTUCZBOF-UHFFFAOYSA-N
XLogP3.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione (CID 3244804) is 1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione is CC(C)N1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccccc1F.
What is the InChIKey of 1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione?
The InChIKey is CUJRBIFTUCZBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-14(2)23-18(24)13-22(15-9-5-3-4-6-10-15)20(25)19(23)16-11-7-8-12-17(16)21/h7-8,11-12,14-15,19H,3-6,9-10,13H2,1-2H3.
What are the key properties of 1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione?
1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione has a molecular weight of 346.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2-fluorophenyl)-4-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 3244804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).