1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid

C20H24N2O3 — CID 5036004

IUPAC1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(C(c2ccc(C)cn2)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C20H24N2O3/c1-14-8-9-18(21-12-14)19(15-5-3-7-17(11-15)25-2)22-10-4-6-16(13-22)20(23)24/h3,5,7-9,11-12,16,19H,4,6,10,13H2,1-2H3,(H,23,24)
InChIKeyRHPALEBHWLEEAX-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.28
Rot. Bonds5

About 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid

1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid (PubChem CID 5036004) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
PubChem CID5036004
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(C(c2ccc(C)cn2)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C20H24N2O3/c1-14-8-9-18(21-12-14)19(15-5-3-7-17(11-15)25-2)22-10-4-6-16(13-22)20(23)24/h3,5,7-9,11-12,16,19H,4,6,10,13H2,1-2H3,(H,23,24)
InChIKeyRHPALEBHWLEEAX-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxy-4-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3329137
1-[(4-fluorophenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 4010829
1-[(3,4-dimethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4272809
1-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 3638795
1-[(2,4-dimethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3969583
1-[1-benzothiophen-2-yl-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4279685
1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4023564
1-[(3-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3559410
1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 4013318
1-[(5-methyl-2-pyridinyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3507995
1-[(2,6-dimethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 4014045
1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4992512

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid (CID 5036004) is 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid is COc1cccc(C(c2ccc(C)cn2)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is RHPALEBHWLEEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-8-9-18(21-12-14)19(15-5-3-7-17(11-15)25-2)22-10-4-6-16(13-22)20(23)24/h3,5,7-9,11-12,16,19H,4,6,10,13H2,1-2H3,(H,23,24).
What are the key properties of 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 5036004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).