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

C14H18N2O4 — CID 62961945

IUPAC1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
SMILESCc1ccn(CC(=O)N2CCC(C(=O)O)CC2)c(=O)c1
InChIInChI=1S/C14H18N2O4/c1-10-2-5-16(12(17)8-10)9-13(18)15-6-3-11(4-7-15)14(19)20/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,19,20)
InChIKeyINMVTIQHWVKSEA-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.48
Rot. Bonds3

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

1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 62961945) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
PubChem CID62961945
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
SMILESCc1ccn(CC(=O)N2CCC(C(=O)O)CC2)c(=O)c1
InChIInChI=1S/C14H18N2O4/c1-10-2-5-16(12(17)8-10)9-13(18)15-6-3-11(4-7-15)14(19)20/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,19,20)
InChIKeyINMVTIQHWVKSEA-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid (CID 62961945) is 1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid is Cc1ccn(CC(=O)N2CCC(C(=O)O)CC2)c(=O)c1.
What is the InChIKey of 1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is INMVTIQHWVKSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-2-5-16(12(17)8-10)9-13(18)15-6-3-11(4-7-15)14(19)20/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,19,20).
What are the key properties of 1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62961945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).