3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid

C14H18N2O4 — CID 62216446

IUPAC3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C14H18N2O4/c17-12(18)4-3-10-5-8-16(9-6-10)14(20)11-2-1-7-15-13(11)19/h1-2,7,10H,3-6,8-9H2,(H,15,19)(H,17,18)
InChIKeyBMOUVOIRGXVHHT-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.09
Rot. Bonds4

About 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid

3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 62216446) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID62216446
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C14H18N2O4/c17-12(18)4-3-10-5-8-16(9-6-10)14(20)11-2-1-7-15-13(11)19/h1-2,7,10H,3-6,8-9H2,(H,15,19)(H,17,18)
InChIKeyBMOUVOIRGXVHHT-UHFFFAOYSA-N
XLogP1.09
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-Oxo-1,2-dihydropyridine-3-carboxamido)octanoic acid
CID 10660393
6-[(1-methyl-2H-pyridine-3-carbonyl)amino]hexanoic acid
CID 20132330
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 24693686
6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24691646
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 24694198
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 24703292
7-[(2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24708760
(3R)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 28179562
(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 28179564
(2S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 28201529
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 28201531
6-[3-(2-Oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150885

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid (CID 62216446) is 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)c2ccc[nH]c2=O)CC1.
What is the InChIKey of 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is BMOUVOIRGXVHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12(18)4-3-10-5-8-16(9-6-10)14(20)11-2-1-7-15-13(11)19/h1-2,7,10H,3-6,8-9H2,(H,15,19)(H,17,18).
What are the key properties of 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62216446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).