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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Related Compounds

2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 86984881
1-[(3-fluorophenyl)methyl]-1-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 87004078
2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55846730
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111681188
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 120595263
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 60777709
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 55746761
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509

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).