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

C15H20N2O4 — CID 81042454

IUPAC3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C15H20N2O4/c1-10(8-13(18)19)11-4-3-7-17(9-11)15(21)12-5-2-6-16-14(12)20/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyDOKZZJJPEJBJOW-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.34
Rot. Bonds4

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

3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid (PubChem CID 81042454) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid
PubChem CID81042454
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C15H20N2O4/c1-10(8-13(18)19)11-4-3-7-17(9-11)15(21)12-5-2-6-16-14(12)20/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyDOKZZJJPEJBJOW-UHFFFAOYSA-N
XLogP1.34
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-{rel-(3R,4S)-4-(dimethylamino)-1-[(2-hydroxy-6-isopropyl-3-pyridinyl)carbonyl]-3-piperidinyl}propanoic acid
CID 72903791
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 24693686
4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21804993
4-[(1-Methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21805076
(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
2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899616
3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 55164718
trans-4-{[3-(2-oxo-1(2H)-pyridinyl)propanoyl]amino}cyclohexanecarboxylic acid
CID 60810353
3-[1-(1-Methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 61706705
3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 61707853
3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 61708042

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid (CID 81042454) is 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid?
The InChIKey is DOKZZJJPEJBJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(8-13(18)19)11-4-3-7-17(9-11)15(21)12-5-2-6-16-14(12)20/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid?
3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.34, 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-3-yl]butanoic acid is sourced from PubChem (CID 81042454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).