1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one

C19H24FN3O3 — CID 131932980

IUPAC1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one
SMILESO=C1NCCN(C(=O)CCN2CCCCCC2=O)C1c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O3/c20-15-7-5-14(6-8-15)18-19(26)21-10-13-23(18)17(25)9-12-22-11-3-1-2-4-16(22)24/h5-8,18H,1-4,9-13H2,(H,21,26)
InChIKeyZOIRDGSJERZNGN-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.62
Rot. Bonds4

About 1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one

1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one (PubChem CID 131932980) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one
PubChem CID131932980
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one
SMILESO=C1NCCN(C(=O)CCN2CCCCCC2=O)C1c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O3/c20-15-7-5-14(6-8-15)18-19(26)21-10-13-23(18)17(25)9-12-22-11-3-1-2-4-16(22)24/h5-8,18H,1-4,9-13H2,(H,21,26)
InChIKeyZOIRDGSJERZNGN-UHFFFAOYSA-N
XLogP1.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 95222110
1-[3-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]azepan-2-one
CID 125160342
N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 110428510
1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110426013
3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one
CID 110619051
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
CID 110420424
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425973

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one (CID 131932980) is 1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one is O=C1NCCN(C(=O)CCN2CCCCCC2=O)C1c1ccc(F)cc1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one?
The InChIKey is ZOIRDGSJERZNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c20-15-7-5-14(6-8-15)18-19(26)21-10-13-23(18)17(25)9-12-22-11-3-1-2-4-16(22)24/h5-8,18H,1-4,9-13H2,(H,21,26).
What are the key properties of 1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one?
1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one has a molecular weight of 361.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one is sourced from PubChem (CID 131932980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).