3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid

C20H24N2O2 — CID 146137457

IUPAC3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(Cc2cccc(-c3ccccn3)c2)C1
InChIInChI=1S/C20H24N2O2/c23-20(24)10-9-16-6-4-12-22(14-16)15-17-5-3-7-18(13-17)19-8-1-2-11-21-19/h1-3,5,7-8,11,13,16H,4,6,9-10,12,14-15H2,(H,23,24)
InChIKeyGBOJTTMYALBZGB-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.83
Rot. Bonds6

About 3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid

3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid (PubChem CID 146137457) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid
PubChem CID146137457
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(Cc2cccc(-c3ccccn3)c2)C1
InChIInChI=1S/C20H24N2O2/c23-20(24)10-9-16-6-4-12-22(14-16)15-17-5-3-7-18(13-17)19-8-1-2-11-21-19/h1-3,5,7-8,11,13,16H,4,6,9-10,12,14-15H2,(H,23,24)
InChIKeyGBOJTTMYALBZGB-UHFFFAOYSA-N
XLogP3.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methyl-4-[(3-pyridin-2-ylphenyl)methyl]piperazine-2-carboxylic acid
CID 95189473
(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid
CID 95866693
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
3-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]propanoic acid
CID 81155931
(3aR,5R,6S,7aS)-2-[(3-pyridin-2-ylphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 56882860
2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043791
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95714571
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol
CID 141047343
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 45217012
3-[1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 45192917
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid (CID 146137457) is 3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(Cc2cccc(-c3ccccn3)c2)C1.
What is the InChIKey of 3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid?
The InChIKey is GBOJTTMYALBZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(24)10-9-16-6-4-12-22(14-16)15-17-5-3-7-18(13-17)19-8-1-2-11-21-19/h1-3,5,7-8,11,13,16H,4,6,9-10,12,14-15H2,(H,23,24).
What are the key properties of 3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid?
3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid has a molecular weight of 324.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 146137457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).