1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one

C15H18FNO2 — CID 115269279

IUPAC1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one
SMILESCC1(C)C(=O)CCCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H18FNO2/c1-15(2)13(18)7-4-8-17(15)14(19)10-11-5-3-6-12(16)9-11/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyPJGODDXGBAWPPY-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.34
Rot. Bonds2

About 1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one

1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one (PubChem CID 115269279) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one
PubChem CID115269279
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one
SMILESCC1(C)C(=O)CCCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H18FNO2/c1-15(2)13(18)7-4-8-17(15)14(19)10-11-5-3-6-12(16)9-11/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyPJGODDXGBAWPPY-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidin-3-one
CID 115275864
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
CID 110708115
1-[4-(2-aminoacetyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone
CID 119306834
cis-(1R,3S)-3-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065727
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanone
CID 105080498
2-(3-fluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129427864
1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116558669
1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-fluorophenyl)ethanone
CID 97377913

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one?
The IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one (CID 115269279) is 1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one is CC1(C)C(=O)CCCN1C(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one?
The InChIKey is PJGODDXGBAWPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-15(2)13(18)7-4-8-17(15)14(19)10-11-5-3-6-12(16)9-11/h3,5-6,9H,4,7-8,10H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one?
1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one has a molecular weight of 263.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one is sourced from PubChem (CID 115269279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).