1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid

C20H24N2O4 — CID 3968223

IUPAC1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(OC)c(C(c2cccnc2)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C20H24N2O4/c1-25-16-5-6-18(26-2)17(12-16)19(15-4-3-9-21-13-15)22-10-7-14(8-11-22)20(23)24/h3-6,9,12-14,19H,7-8,10-11H2,1-2H3,(H,23,24)
InChIKeyCHQYIZXUXJLTJR-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.98
Rot. Bonds6

About 1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid

1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 3968223) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
PubChem CID3968223
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(OC)c(C(c2cccnc2)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C20H24N2O4/c1-25-16-5-6-18(26-2)17(12-16)19(15-4-3-9-21-13-15)22-10-7-14(8-11-22)20(23)24/h3-6,9,12-14,19H,7-8,10-11H2,1-2H3,(H,23,24)
InChIKeyCHQYIZXUXJLTJR-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,5-dimethoxyphenyl)-isoquinolin-6-ylmethyl]piperidine-4-carboxylic acid
CID 5030210
1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912641
1-[(2,5-dimethoxyphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3877249
1-[(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylic acid
CID 4242263
1-[(2,5-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3281200
1-[(5-fluoro-2-methoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 3942168
1-[(3-methyl-4-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 4236669
1-[(3-bromophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3927621
1-[(2,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4022902
1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3889238
1-[(2,4-dimethoxyphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4015353
1-[(4-ethoxy-3-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3522390

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid (CID 3968223) is 1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid is COc1ccc(OC)c(C(c2cccnc2)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is CHQYIZXUXJLTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-16-5-6-18(26-2)17(12-16)19(15-4-3-9-21-13-15)22-10-7-14(8-11-22)20(23)24/h3-6,9,12-14,19H,7-8,10-11H2,1-2H3,(H,23,24).
What are the key properties of 1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid?
1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3968223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).