1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one

C16H23FN2O2 — CID 115941070

IUPAC1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOCC1CCN(CC(C)C(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C16H23FN2O2/c1-12(16(20)15-4-3-14(17)9-18-15)10-19-7-5-13(6-8-19)11-21-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3
InChIKeyFYSSTSMNXMNZLA-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.40
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one

1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 115941070) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID115941070
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOCC1CCN(CC(C)C(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C16H23FN2O2/c1-12(16(20)15-4-3-14(17)9-18-15)10-19-7-5-13(6-8-19)11-21-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3
InChIKeyFYSSTSMNXMNZLA-UHFFFAOYSA-N
XLogP2.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114681875
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 104960594
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107395046
1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 115941097
1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 115996621
1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-N-methylpropan-1-amine
CID 83111511
1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121
4-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107907966
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586223
3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide
CID 63972759
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one (CID 115941070) is 1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one is COCC1CCN(CC(C)C(=O)c2ccc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is FYSSTSMNXMNZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12(16(20)15-4-3-14(17)9-18-15)10-19-7-5-13(6-8-19)11-21-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.40, 6 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-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 115941070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).