methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate

C20H24N2O4 — CID 90086503

IUPACmethyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2CCN(c3ccc(OC)cn3)CC2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-18-7-8-19(21-13-18)22-11-9-15(10-12-22)14-26-17-5-3-16(4-6-17)20(23)25-2/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyZUOQGLJTFXIPMJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.17
Rot. Bonds6

About methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate

methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate (PubChem CID 90086503) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
PubChem CID90086503
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namemethyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2CCN(c3ccc(OC)cn3)CC2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-18-7-8-19(21-13-18)22-11-9-15(10-12-22)14-26-17-5-3-16(4-6-17)20(23)25-2/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyZUOQGLJTFXIPMJ-UHFFFAOYSA-N
XLogP3.17
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate (CID 90086503) is methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate is COC(=O)c1ccc(OCC2CCN(c3ccc(OC)cn3)CC2)cc1.
What is the InChIKey of methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate?
The InChIKey is ZUOQGLJTFXIPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-18-7-8-19(21-13-18)22-11-9-15(10-12-22)14-26-17-5-3-16(4-6-17)20(23)25-2/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate?
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate has a molecular weight of 356.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate is sourced from PubChem (CID 90086503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).