1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one

C14H20FN3O2 — CID 176811804

IUPAC1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1nc(N2CCN(C(=O)C(C)C)CC2)ccc1F
InChIInChI=1S/C14H20FN3O2/c1-10(2)14(19)18-8-6-17(7-9-18)12-5-4-11(15)13(16-12)20-3/h4-5,10H,6-9H2,1-3H3
InChIKeyHHVVUJGPTCYKFN-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.53
Rot. Bonds3

About 1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 176811804) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID176811804
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1nc(N2CCN(C(=O)C(C)C)CC2)ccc1F
InChIInChI=1S/C14H20FN3O2/c1-10(2)14(19)18-8-6-17(7-9-18)12-5-4-11(15)13(16-12)20-3/h4-5,10H,6-9H2,1-3H3
InChIKeyHHVVUJGPTCYKFN-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

Analyze 1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
CID 176811705
1-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 176935100
2-methyl-1-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-one
CID 133482860
tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane
CID 145279147
methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133487964
2-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122340964
1-[4-(4,6-dimethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 136542255
2-methoxy-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 68740181
1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7540194
2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108736910
2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 75494329
2-methyl-1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122342201

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one (CID 176811804) is 1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one is COc1nc(N2CCN(C(=O)C(C)C)CC2)ccc1F.
What is the InChIKey of 1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is HHVVUJGPTCYKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10(2)14(19)18-8-6-17(7-9-18)12-5-4-11(15)13(16-12)20-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(5-fluoro-6-methoxy-2-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-6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 176811804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).