1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one

C19H25FN2O2 — CID 99799044

IUPAC1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESCC(=O)c1c(F)cccc1N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C19H25FN2O2/c1-14(23)19-16(20)5-4-6-17(19)21-11-8-15(9-12-21)13-22-10-3-2-7-18(22)24/h4-6,15H,2-3,7-13H2,1H3
InChIKeyHBNKCRKLIHPVHJ-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.26
Rot. Bonds4

About 1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one

1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 99799044) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one
PubChem CID99799044
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESCC(=O)c1c(F)cccc1N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C19H25FN2O2/c1-14(23)19-16(20)5-4-6-17(19)21-11-8-15(9-12-21)13-22-10-3-2-7-18(22)24/h4-6,15H,2-3,7-13H2,1H3
InChIKeyHBNKCRKLIHPVHJ-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
CID 62076817
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111496584
1-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-6-fluorophenyl]ethanone
CID 133338554
1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone
CID 133278302
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone
CID 28787522
(3S)-1-(2-acetyl-3-fluorophenyl)-N-ethylpyrrolidine-3-sulfonamide
CID 97158073
1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341581
1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 133285215
1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanone
CID 61419831
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91791304

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one (CID 99799044) is 1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one is CC(=O)c1c(F)cccc1N1CCC(CN2CCCCC2=O)CC1.
What is the InChIKey of 1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is HBNKCRKLIHPVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-14(23)19-16(20)5-4-6-17(19)21-11-8-15(9-12-21)13-22-10-3-2-7-18(22)24/h4-6,15H,2-3,7-13H2,1H3.
What are the key properties of 1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 332.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 99799044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).