3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one

C15H18FN3O2 — CID 43745994

IUPAC3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one
SMILESCC(=O)N1CCC(NC2C(=O)Nc3cc(F)ccc32)CC1
InChIInChI=1S/C15H18FN3O2/c1-9(20)19-6-4-11(5-7-19)17-14-12-3-2-10(16)8-13(12)18-15(14)21/h2-3,8,11,14,17H,4-7H2,1H3,(H,18,21)
InChIKeyHNQGWRJPXVOBFP-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.42
Rot. Bonds2

About 3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one

3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one (PubChem CID 43745994) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one
PubChem CID43745994
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one
SMILESCC(=O)N1CCC(NC2C(=O)Nc3cc(F)ccc32)CC1
InChIInChI=1S/C15H18FN3O2/c1-9(20)19-6-4-11(5-7-19)17-14-12-3-2-10(16)8-13(12)18-15(14)21/h2-3,8,11,14,17H,4-7H2,1H3,(H,18,21)
InChIKeyHNQGWRJPXVOBFP-UHFFFAOYSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 115000723
6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one
CID 43203494
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
CID 43321623
methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate
CID 43726107
2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide
CID 43567793
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291
6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
CID 43203891
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one (CID 43745994) is 3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one is CC(=O)N1CCC(NC2C(=O)Nc3cc(F)ccc32)CC1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one?
The InChIKey is HNQGWRJPXVOBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-9(20)19-6-4-11(5-7-19)17-14-12-3-2-10(16)8-13(12)18-15(14)21/h2-3,8,11,14,17H,4-7H2,1H3,(H,18,21).
What are the key properties of 3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one?
3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one has a molecular weight of 291.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43745994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).