1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one

C14H20FN3O2 — CID 176811705

IUPAC1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ncc(F)cc1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C14H20FN3O2/c1-10(2)14(19)18-6-4-17(5-7-18)12-8-11(15)9-16-13(12)20-3/h8-10H,4-7H2,1-3H3
InChIKeyDYBVVGYWIDSKGA-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.53
Rot. Bonds3

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

1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 176811705) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID176811705
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ncc(F)cc1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C14H20FN3O2/c1-10(2)14(19)18-6-4-17(5-7-18)12-8-11(15)9-16-13(12)20-3/h8-10H,4-7H2,1-3H3
InChIKeyDYBVVGYWIDSKGA-UHFFFAOYSA-N
XLogP1.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
CID 176811804
1-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 176935100
(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119888914
1-[4-(4,6-dimethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 136542255
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120504044
1-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806210
3-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120504016
2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 113076267
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
2-methyl-1-[4-(3-methylimidazol-4-yl)piperazin-1-yl]propan-1-one
CID 176811378
2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one
CID 113079086
1-[4-[2-(3-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796896

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one (CID 176811705) is 1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one is COc1ncc(F)cc1N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is DYBVVGYWIDSKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10(2)14(19)18-6-4-17(5-7-18)12-8-11(15)9-16-13(12)20-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 281.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 176811705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).