2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid

C20H24N2O4 — CID 72932732

IUPAC2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid
SMILESCOc1ccccc1C(C(=O)O)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C20H24N2O4/c1-25-18-7-3-2-6-17(18)19(20(23)24)22-11-8-16(9-12-22)26-14-15-5-4-10-21-13-15/h2-7,10,13,16,19H,8-9,11-12,14H2,1H3,(H,23,24)
InChIKeyJUBIBUWQKNGXTO-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.90
Rot. Bonds7

About 2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid

2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid (PubChem CID 72932732) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid
PubChem CID72932732
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid
SMILESCOc1ccccc1C(C(=O)O)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C20H24N2O4/c1-25-18-7-3-2-6-17(18)19(20(23)24)22-11-8-16(9-12-22)26-14-15-5-4-10-21-13-15/h2-7,10,13,16,19H,8-9,11-12,14H2,1H3,(H,23,24)
InChIKeyJUBIBUWQKNGXTO-UHFFFAOYSA-N
XLogP2.90
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid?
The IUPAC name of 2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid (CID 72932732) is 2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid is COc1ccccc1C(C(=O)O)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid?
The InChIKey is JUBIBUWQKNGXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-18-7-3-2-6-17(18)19(20(23)24)22-11-8-16(9-12-22)26-14-15-5-4-10-21-13-15/h2-7,10,13,16,19H,8-9,11-12,14H2,1H3,(H,23,24).
What are the key properties of 2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid?
2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid has a molecular weight of 356.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid is sourced from PubChem (CID 72932732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).