4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one

C16H18FN3O2 — CID 141178963

IUPAC4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one
SMILESCC(C)(C(=O)N1CCNC(=O)C1)n1ccc2c(F)cccc21
InChIInChI=1S/C16H18FN3O2/c1-16(2,15(22)19-9-7-18-14(21)10-19)20-8-6-11-12(17)4-3-5-13(11)20/h3-6,8H,7,9-10H2,1-2H3,(H,18,21)
InChIKeyYLDXHASGKBUEHN-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.47
Rot. Bonds2

About 4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one

4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one (PubChem CID 141178963) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one
PubChem CID141178963
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one
SMILESCC(C)(C(=O)N1CCNC(=O)C1)n1ccc2c(F)cccc21
InChIInChI=1S/C16H18FN3O2/c1-16(2,15(22)19-9-7-18-14(21)10-19)20-8-6-11-12(17)4-3-5-13(11)20/h3-6,8H,7,9-10H2,1-2H3,(H,18,21)
InChIKeyYLDXHASGKBUEHN-UHFFFAOYSA-N
XLogP1.47
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxy-2,2-diphenylacetyl)piperazin-2-one
CID 110878709
4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
CID 121419784
4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-2-one
CID 60656740
4-(2-amino-2-phenylpropanoyl)piperazin-2-one
CID 62487867
4-(2,2,2-trifluoroacetyl)piperazin-2-one
CID 62733743
4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
CID 56831864
4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 62848971
4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one
CID 130266300
1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 160882025
1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one
CID 31097080
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615
4-acetylpiperazin-2-one
CID 12744517

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one?
The IUPAC name of 4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one (CID 141178963) is 4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one is CC(C)(C(=O)N1CCNC(=O)C1)n1ccc2c(F)cccc21.
What is the InChIKey of 4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one?
The InChIKey is YLDXHASGKBUEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-16(2,15(22)19-9-7-18-14(21)10-19)20-8-6-11-12(17)4-3-5-13(11)20/h3-6,8H,7,9-10H2,1-2H3,(H,18,21).
What are the key properties of 4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one?
4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one has a molecular weight of 303.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]piperazin-2-one is sourced from PubChem (CID 141178963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).