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

C15H20N2O4 — CID 62218008

IUPAC3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid
SMILESCn1ccc(C(=O)N2CCC(CCC(=O)O)CC2)cc1=O
InChIInChI=1S/C15H20N2O4/c1-16-7-6-12(10-13(16)18)15(21)17-8-4-11(5-9-17)2-3-14(19)20/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyCSILDSPHRFUGOU-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.10
Rot. Bonds4

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

3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 62218008) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID62218008
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid
SMILESCn1ccc(C(=O)N2CCC(CCC(=O)O)CC2)cc1=O
InChIInChI=1S/C15H20N2O4/c1-16-7-6-12(10-13(16)18)15(21)17-8-4-11(5-9-17)2-3-14(19)20/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyCSILDSPHRFUGOU-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

(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1,3-dicarboxylic acid
CID 123388855
(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1,3-dicarboxylic acid
CID 123840785
4-(1-Methyl-2-oxo-4-pyridinyl)piperidine-1,3-dicarboxylic acid
CID 177707222
6-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
CID 43352952
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid (CID 62218008) is 3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid is Cn1ccc(C(=O)N2CCC(CCC(=O)O)CC2)cc1=O.
What is the InChIKey of 3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is CSILDSPHRFUGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-7-6-12(10-13(16)18)15(21)17-8-4-11(5-9-17)2-3-14(19)20/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of 3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-4-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-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62218008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).