1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

C20H24N2O3 — CID 3934336

IUPAC1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cccc(C(c2cccc(C)n2)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C20H24N2O3/c1-14-7-5-10-17(21-14)19(15-8-6-9-16(13-15)25-2)22-12-4-3-11-18(22)20(23)24/h5-10,13,18-19H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyNNJOMTPXYPXGQS-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.43
Rot. Bonds5

About 1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (PubChem CID 3934336) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
PubChem CID3934336
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cccc(C(c2cccc(C)n2)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C20H24N2O3/c1-14-7-5-10-17(21-14)19(15-8-6-9-16(13-15)25-2)22-12-4-3-11-18(22)20(23)24/h5-10,13,18-19H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyNNJOMTPXYPXGQS-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

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Related Compounds

1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 4685036
1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3665423
1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4983234
1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 3568909
1-[(4-fluorophenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3995411
1-[(3-methoxyphenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid
CID 4009293
1-[(2,5-dimethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3934510
1-[(4-bromophenyl)-(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4556434
1-[(3-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3595943
1-[1,3-benzothiazol-2-yl-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5196309
1-[(5-bromothiophen-2-yl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5130194
1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3881727

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (CID 3934336) is 1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is COc1cccc(C(c2cccc(C)n2)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is NNJOMTPXYPXGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-7-5-10-17(21-14)19(15-8-6-9-16(13-15)25-2)22-12-4-3-11-18(22)20(23)24/h5-10,13,18-19H,3-4,11-12H2,1-2H3,(H,23,24).
What are the key properties of 1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
1-[(3-methoxyphenyl)-(6-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-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3934336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).