3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid

C15H20N2O4 — CID 120536651

IUPAC3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid
SMILESCn1c(C(=O)N2CCCC(CCC(=O)O)C2)cccc1=O
InChIInChI=1S/C15H20N2O4/c1-16-12(5-2-6-13(16)18)15(21)17-9-3-4-11(10-17)7-8-14(19)20/h2,5-6,11H,3-4,7-10H2,1H3,(H,19,20)
InChIKeyANTARTPCVJFUSF-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.10
Rot. Bonds4

About 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 120536651) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID120536651
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid
SMILESCn1c(C(=O)N2CCCC(CCC(=O)O)C2)cccc1=O
InChIInChI=1S/C15H20N2O4/c1-16-12(5-2-6-13(16)18)15(21)17-9-3-4-11(10-17)7-8-14(19)20/h2,5-6,11H,3-4,7-10H2,1H3,(H,19,20)
InChIKeyANTARTPCVJFUSF-UHFFFAOYSA-N
XLogP1.10
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-3-yl]propanoic acid
CID 120247455
3-[(3S)-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-3-yl]propanoic acid
CID 124700194
3-[(3R)-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-3-yl]propanoic acid
CID 124701589
3-[1-(1-Methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 61706705
3-(1-Hexa-2,4-dienoylpiperidin-3-yl)propanoic acid
CID 76914122
3-[1-[(4E)-hexa-2,4-dienoyl]piperidin-3-yl]butanoic acid
CID 81046699
3-[1-[2-(2-Oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid
CID 82896998
3-[1-[2-(2-Oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid
CID 82897350
3-[1-[2-(2-Oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid
CID 82899262
1-[2-(3-Methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 84278014
3-{1-[(6-Oxo-1,6-dihydropyridin-2-yl)carbonyl]piperidin-3-yl}propanoic acid
CID 90647917
3-[(3S)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 100020982

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid (CID 120536651) is 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid is Cn1c(C(=O)N2CCCC(CCC(=O)O)C2)cccc1=O.
What is the InChIKey of 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is ANTARTPCVJFUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-12(5-2-6-13(16)18)15(21)17-9-3-4-11(10-17)7-8-14(19)20/h2,5-6,11H,3-4,7-10H2,1H3,(H,19,20).
What are the key properties of 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 120536651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).