[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone

C25H26FN3O4 — CID 170265048

IUPAC[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3cnc(C)cc3OC)CC2)ncc1Oc1ccc(F)cc1
InChIInChI=1S/C25H26FN3O4/c1-16-12-22(31-2)20(14-27-16)17-8-10-29(11-9-17)25(30)21-13-23(32-3)24(15-28-21)33-19-6-4-18(26)5-7-19/h4-7,12-15,17H,8-11H2,1-3H3
InChIKeyQDDGDFODSPXORD-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.75
Rot. Bonds6

About [5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone

[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone (PubChem CID 170265048) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is [5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
PubChem CID170265048
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3cnc(C)cc3OC)CC2)ncc1Oc1ccc(F)cc1
InChIInChI=1S/C25H26FN3O4/c1-16-12-22(31-2)20(14-27-16)17-8-10-29(11-9-17)25(30)21-13-23(32-3)24(15-28-21)33-19-6-4-18(26)5-7-19/h4-7,12-15,17H,8-11H2,1-3H3
InChIKeyQDDGDFODSPXORD-UHFFFAOYSA-N
XLogP4.75
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[5-[(2-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265069
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone
CID 138675009
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenoxy)-2-pyridinyl]methanone
CID 138674698
[4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265183
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
CID 138674755
[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
CID 176715559
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone
CID 175421877
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
[4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone
CID 175421866
[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium
CID 176715571
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92616678
[4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone
CID 139416152

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone (CID 170265048) is [5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone is COc1cc(C(=O)N2CCC(c3cnc(C)cc3OC)CC2)ncc1Oc1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is QDDGDFODSPXORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-16-12-22(31-2)20(14-27-16)17-8-10-29(11-9-17)25(30)21-13-23(32-3)24(15-28-21)33-19-6-4-18(26)5-7-19/h4-7,12-15,17H,8-11H2,1-3H3.
What are the key properties of [5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone?
[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 451.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 170265048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).