4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid

C15H20N2O4 — CID 63123644

IUPAC4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CCn2ccccc2=O)CC1
InChIInChI=1S/C15H20N2O4/c1-15(14(20)21)6-10-17(11-7-15)13(19)5-9-16-8-3-2-4-12(16)18/h2-4,8H,5-7,9-11H2,1H3,(H,20,21)
InChIKeyKWRQZMCDEFMYDU-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.95
Rot. Bonds4

About 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid

4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 63123644) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid
PubChem CID63123644
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CCn2ccccc2=O)CC1
InChIInChI=1S/C15H20N2O4/c1-15(14(20)21)6-10-17(11-7-15)13(19)5-9-16-8-3-2-4-12(16)18/h2-4,8H,5-7,9-11H2,1H3,(H,20,21)
InChIKeyKWRQZMCDEFMYDU-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid (CID 63123644) is 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)CCn2ccccc2=O)CC1.
What is the InChIKey of 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is KWRQZMCDEFMYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(14(20)21)6-10-17(11-7-15)13(19)5-9-16-8-3-2-4-12(16)18/h2-4,8H,5-7,9-11H2,1H3,(H,20,21).
What are the key properties of 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid?
4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63123644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).