2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid

C21H26N2O3 — CID 99927710

IUPAC2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid
SMILESCOc1ccc(CN2CCCC[C@@H]2CCc2ccccn2)cc1C(=O)O
InChIInChI=1S/C21H26N2O3/c1-26-20-11-8-16(14-19(20)21(24)25)15-23-13-5-3-7-18(23)10-9-17-6-2-4-12-22-17/h2,4,6,8,11-12,14,18H,3,5,7,9-10,13,15H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyISWWXANYPNRIMP-GOSISDBHSA-N
MW354.45 g/mol
LogP3.78
Rot. Bonds7

About 2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid

2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid (PubChem CID 99927710) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid
PubChem CID99927710
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid
SMILESCOc1ccc(CN2CCCC[C@@H]2CCc2ccccn2)cc1C(=O)O
InChIInChI=1S/C21H26N2O3/c1-26-20-11-8-16(14-19(20)21(24)25)15-23-13-5-3-7-18(23)10-9-17-6-2-4-12-22-17/h2,4,6,8,11-12,14,18H,3,5,7,9-10,13,15H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyISWWXANYPNRIMP-GOSISDBHSA-N
XLogP3.78
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid with MolForge

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Related Compounds

2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 106793710
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 65062672
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758
2-[2-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]ethyl]pyridine
CID 29214676
2-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyridine
CID 77096975
3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124758455
1-morpholin-4-yl-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 124844881
2-[2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]ethyl]pyridine
CID 91832850
2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 107880904
N,N-dimethyl-6-[2-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine
CID 124948158
2-[2-[(2S)-1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-2-yl]ethyl]pyridine
CID 124758900

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid (CID 99927710) is 2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid is COc1ccc(CN2CCCC[C@@H]2CCc2ccccn2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid?
The InChIKey is ISWWXANYPNRIMP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-26-20-11-8-16(14-19(20)21(24)25)15-23-13-5-3-7-18(23)10-9-17-6-2-4-12-22-17/h2,4,6,8,11-12,14,18H,3,5,7,9-10,13,15H2,1H3,(H,24,25)/t18-/m1/s1.
What are the key properties of 2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid?
2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid has a molecular weight of 354.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 99927710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).