1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one

C16H23FN2O2 — CID 107395046

IUPAC1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCOC1(C)CCCN(CC(C)C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C16H23FN2O2/c1-12(15(20)14-6-5-13(17)9-18-14)10-19-8-4-7-16(2,11-19)21-3/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyOLHBNNHVEIKZAG-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.54
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one

1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 107395046) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID107395046
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCOC1(C)CCCN(CC(C)C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C16H23FN2O2/c1-12(15(20)14-6-5-13(17)9-18-14)10-19-8-4-7-16(2,11-19)21-3/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyOLHBNNHVEIKZAG-UHFFFAOYSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine
CID 107395114
1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 115941070
1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114681875
1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107522247
1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 115941097
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 104960594
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 107394680
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114034557
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394805
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 107393911
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one
CID 107393650

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one (CID 107395046) is 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one is COC1(C)CCCN(CC(C)C(=O)c2ccc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is OLHBNNHVEIKZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12(15(20)14-6-5-13(17)9-18-14)10-19-8-4-7-16(2,11-19)21-3/h5-6,9,12H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 107395046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).