2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid

C13H16N2O3 — CID 79614951

IUPAC2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-10-4-7-15(8-5-10)13(18)11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9H2,(H,16,17)
InChIKeyVYYZYQJNFVAZIQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.41
Rot. Bonds3

About 2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid

2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79614951) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79614951
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-10-4-7-15(8-5-10)13(18)11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9H2,(H,16,17)
InChIKeyVYYZYQJNFVAZIQ-UHFFFAOYSA-N
XLogP1.41
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 114037536
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 2608181
1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 68604423
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
2-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79614868

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid (CID 79614951) is 2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of 2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is VYYZYQJNFVAZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)9-10-4-7-15(8-5-10)13(18)11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9H2,(H,16,17).
What are the key properties of 2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79614951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).