2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide

C21H26FN3O2 — CID 86995978

IUPAC2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2ccc(CNC(=O)C(C)Oc3cccc(F)c3)cn2)CC1
InChIInChI=1S/C21H26FN3O2/c1-15-8-10-25(11-9-15)20-7-6-17(13-23-20)14-24-21(26)16(2)27-19-5-3-4-18(22)12-19/h3-7,12-13,15-16H,8-11,14H2,1-2H3,(H,24,26)
InChIKeyQLIGRIONDUVNQX-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.54
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide

2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 86995978) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID86995978
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2ccc(CNC(=O)C(C)Oc3cccc(F)c3)cn2)CC1
InChIInChI=1S/C21H26FN3O2/c1-15-8-10-25(11-9-15)20-7-6-17(13-23-20)14-24-21(26)16(2)27-19-5-3-4-18(22)12-19/h3-7,12-13,15-16H,8-11,14H2,1-2H3,(H,24,26)
InChIKeyQLIGRIONDUVNQX-UHFFFAOYSA-N
XLogP3.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide (CID 86995978) is 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide is CC1CCN(c2ccc(CNC(=O)C(C)Oc3cccc(F)c3)cn2)CC1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is QLIGRIONDUVNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-15-8-10-25(11-9-15)20-7-6-17(13-23-20)14-24-21(26)16(2)27-19-5-3-4-18(22)12-19/h3-7,12-13,15-16H,8-11,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 86995978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).