1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

C20H24N2O3 — CID 5125172

IUPAC1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccccc1C(c1ncccc1C)N1CCCCC1C(=O)O
InChIInChI=1S/C20H24N2O3/c1-14-8-7-12-21-18(14)19(15-9-3-4-11-17(15)25-2)22-13-6-5-10-16(22)20(23)24/h3-4,7-9,11-12,16,19H,5-6,10,13H2,1-2H3,(H,23,24)
InChIKeyDIAWFZHEHJDFBK-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.43
Rot. Bonds5

About 1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (PubChem CID 5125172) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
PubChem CID5125172
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccccc1C(c1ncccc1C)N1CCCCC1C(=O)O
InChIInChI=1S/C20H24N2O3/c1-14-8-7-12-21-18(14)19(15-9-3-4-11-17(15)25-2)22-13-6-5-10-16(22)20(23)24/h3-4,7-9,11-12,16,19H,5-6,10,13H2,1-2H3,(H,23,24)
InChIKeyDIAWFZHEHJDFBK-UHFFFAOYSA-N
XLogP3.43
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3568468
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4568163
1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4543661
1-[(3,5-dimethylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 5222322
1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3919091
1-[(2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3880673
1-[(3-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3595943
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3876106
1-[(5-fluoro-2-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4032489
1-[(3-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4579065
1-[1-(3-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
CID 3565733
1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4599942

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (CID 5125172) is 1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is COc1ccccc1C(c1ncccc1C)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is DIAWFZHEHJDFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-8-7-12-21-18(14)19(15-9-3-4-11-17(15)25-2)22-13-6-5-10-16(22)20(23)24/h3-4,7-9,11-12,16,19H,5-6,10,13H2,1-2H3,(H,23,24).
What are the key properties of 1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 5125172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).