2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid

C14H18N2O4 — CID 62690241

IUPAC2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid
SMILESCn1ccc(C(=O)N2CCCC(CC(=O)O)C2)cc1=O
InChIInChI=1S/C14H18N2O4/c1-15-6-4-11(8-12(15)17)14(20)16-5-2-3-10(9-16)7-13(18)19/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,18,19)
InChIKeyVUACZZJYOJEUJS-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.71
Rot. Bonds3

About 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid

2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62690241) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62690241
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid
SMILESCn1ccc(C(=O)N2CCCC(CC(=O)O)C2)cc1=O
InChIInChI=1S/C14H18N2O4/c1-15-6-4-11(8-12(15)17)14(20)16-5-2-3-10(9-16)7-13(18)19/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,18,19)
InChIKeyVUACZZJYOJEUJS-UHFFFAOYSA-N
XLogP0.71
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-Methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid
CID 39151151
1-[3-(2-Oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid
CID 43170476
1-(1-Methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 43354232
1-(1-Methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 43355886
1-(1-Methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 43356068
Methyl 1-(1-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-4-carboxylate
CID 43423513
2-[1-(1-Methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidin-2-yl]acetic acid
CID 47003244
(3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 51888683
(3R)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 51888685
(2R)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 51888695
(2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 51888697
2-[(2R)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid
CID 51891990

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid (CID 62690241) is 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid is Cn1ccc(C(=O)N2CCCC(CC(=O)O)C2)cc1=O.
What is the InChIKey of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is VUACZZJYOJEUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15-6-4-11(8-12(15)17)14(20)16-5-2-3-10(9-16)7-13(18)19/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,18,19).
What are the key properties of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).