1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

C21H26N2O4 — CID 3665423

IUPAC1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(C(c2cccc(C)n2)N2CCCCC2C(=O)O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14-7-6-8-16(22-14)20(23-12-5-4-9-17(23)21(24)25)15-10-11-18(26-2)19(13-15)27-3/h6-8,10-11,13,17,20H,4-5,9,12H2,1-3H3,(H,24,25)
InChIKeyFCAJFYOLBKKYFK-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.44
Rot. Bonds6

About 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (PubChem CID 3665423) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
PubChem CID3665423
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(C(c2cccc(C)n2)N2CCCCC2C(=O)O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14-7-6-8-16(22-14)20(23-12-5-4-9-17(23)21(24)25)15-10-11-18(26-2)19(13-15)27-3/h6-8,10-11,13,17,20H,4-5,9,12H2,1-3H3,(H,24,25)
InChIKeyFCAJFYOLBKKYFK-UHFFFAOYSA-N
XLogP3.44
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4983234
1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3934336
1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 4685036
1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 3568909
1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3969691
1-[(4-bromophenyl)-(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4556434
1-[1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4236941
1-[1-benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5210557
1-[(2-chlorophenyl)-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4600263
1-[(3-ethoxy-4-methoxyphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3658747
1-[(4-ethoxy-3-methoxyphenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4299590
1-[(3,4-dimethoxyphenyl)-(3-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 5042506

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (CID 3665423) is 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is COc1ccc(C(c2cccc(C)n2)N2CCCCC2C(=O)O)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is FCAJFYOLBKKYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-7-6-8-16(22-14)20(23-12-5-4-9-17(23)21(24)25)15-10-11-18(26-2)19(13-15)27-3/h6-8,10-11,13,17,20H,4-5,9,12H2,1-3H3,(H,24,25).
What are the key properties of 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3665423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).