2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid

C15H20N2O4 — CID 78979730

IUPAC2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCn2ccccc2=O)CC1
InChIInChI=1S/C15H20N2O4/c18-13-3-1-2-7-16(13)10-6-14(19)17-8-4-12(5-9-17)11-15(20)21/h1-3,7,12H,4-6,8-11H2,(H,20,21)
InChIKeyHVVJRZLVGYXWRI-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.95
Rot. Bonds5

About 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid

2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid (PubChem CID 78979730) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid
PubChem CID78979730
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCn2ccccc2=O)CC1
InChIInChI=1S/C15H20N2O4/c18-13-3-1-2-7-16(13)10-6-14(19)17-8-4-12(5-9-17)11-15(20)21/h1-3,7,12H,4-6,8-11H2,(H,20,21)
InChIKeyHVVJRZLVGYXWRI-UHFFFAOYSA-N
XLogP0.95
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 24693686
(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
2-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]acetic acid
CID 138491152
2-[1-[4-(Dimethylamino)but-2-enoyl]piperidin-4-yl]acetic acid
CID 138491154
1-(1-Methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid
CID 151020406
4-(1-Methyl-2-oxo-4-pyridinyl)piperidine-1,3-dicarboxylic acid
CID 177707222
1-[(2E,4E)-hexa-2,4-dienoyl]piperidine-3-carboxylic acid
CID 24691498
(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
3-[Methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid
CID 39150929
5-[5-(4-Methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid
CID 39151101

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid (CID 78979730) is 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)CCn2ccccc2=O)CC1.
What is the InChIKey of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid?
The InChIKey is HVVJRZLVGYXWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13-3-1-2-7-16(13)10-6-14(19)17-8-4-12(5-9-17)11-15(20)21/h1-3,7,12H,4-6,8-11H2,(H,20,21).
What are the key properties of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid?
2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 78979730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).