3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid

C20H24N2O4 — CID 167016002

IUPAC3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1COc1cccc(C2CCN(C)CC2)n1
InChIInChI=1S/C20H24N2O4/c1-22-10-8-14(9-11-22)17-4-3-5-19(21-17)26-13-16-7-6-15(20(23)24)12-18(16)25-2/h3-7,12,14H,8-11,13H2,1-2H3,(H,23,24)
InChIKeyPQTXZOFEXNUIKD-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.18
Rot. Bonds6

About 3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid

3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid (PubChem CID 167016002) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid
PubChem CID167016002
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1COc1cccc(C2CCN(C)CC2)n1
InChIInChI=1S/C20H24N2O4/c1-22-10-8-14(9-11-22)17-4-3-5-19(21-17)26-13-16-7-6-15(20(23)24)12-18(16)25-2/h3-7,12,14H,8-11,13H2,1-2H3,(H,23,24)
InChIKeyPQTXZOFEXNUIKD-UHFFFAOYSA-N
XLogP3.18
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
CID 163253222
1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one
CID 163253215
4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid
CID 175721621
4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one
CID 143843793
3-methyl-2-[[4-[6-[[2-(trifluoromethoxy)phenyl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 139208540
2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine
CID 167016332
3-[2-[4-[6-[(2,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl-methylamino]-4-methylbenzoic acid
CID 177189926
CID 174096666
CID 174096666
7-ethoxy-2-[[4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 175587675
methyl 2-[[4-[6-[[4-(cyclopropanecarbonyl)-2-methoxyphenyl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 163253225
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(2R)-1-methoxypropan-2-yl]benzimidazole-5-carboxylic acid
CID 139208629
tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
CID 163253291

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid?
The IUPAC name of 3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid (CID 167016002) is 3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid.
What is the SMILES notation for 3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid?
The canonical SMILES for 3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid is COc1cc(C(=O)O)ccc1COc1cccc(C2CCN(C)CC2)n1.
What is the InChIKey of 3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid?
The InChIKey is PQTXZOFEXNUIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-22-10-8-14(9-11-22)17-4-3-5-19(21-17)26-13-16-7-6-15(20(23)24)12-18(16)25-2/h3-7,12,14H,8-11,13H2,1-2H3,(H,23,24).
What are the key properties of 3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid?
3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid is sourced from PubChem (CID 167016002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).