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

C16H20FNO2 — CID 112536906

IUPAC1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H20FNO2/c1-2-15(19)12-7-9-18(10-8-12)16(20)11-13-5-3-4-6-14(13)17/h3-6,12H,2,7-11H2,1H3
InChIKeyJURNCMUIJDKVKY-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.59
Rot. Bonds4

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

1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one (PubChem CID 112536906) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
PubChem CID112536906
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H20FNO2/c1-2-15(19)12-7-9-18(10-8-12)16(20)11-13-5-3-4-6-14(13)17/h3-6,12H,2,7-11H2,1H3
InChIKeyJURNCMUIJDKVKY-UHFFFAOYSA-N
XLogP2.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
2-(2-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 173160749
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261
2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082538
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119260930
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110797870
N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110822805
N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113006955
2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60590521
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 114506383
1-[(7S)-7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-(2-fluorophenyl)ethanone
CID 99878582

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one?
The IUPAC name of 1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one (CID 112536906) is 1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one is CCC(=O)C1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one?
The InChIKey is JURNCMUIJDKVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-2-15(19)12-7-9-18(10-8-12)16(20)11-13-5-3-4-6-14(13)17/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one?
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one has a molecular weight of 277.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 112536906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).