4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid

C14H18N2O4 — CID 63123679

IUPAC4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCn1ccc(C(=O)N2CCC(C)(C(=O)O)CC2)cc1=O
InChIInChI=1S/C14H18N2O4/c1-14(13(19)20)4-7-16(8-5-14)12(18)10-3-6-15(2)11(17)9-10/h3,6,9H,4-5,7-8H2,1-2H3,(H,19,20)
InChIKeyCBCSVZNROMIWQJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.71
Rot. Bonds2

About 4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid

4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63123679) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID63123679
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCn1ccc(C(=O)N2CCC(C)(C(=O)O)CC2)cc1=O
InChIInChI=1S/C14H18N2O4/c1-14(13(19)20)4-7-16(8-5-14)12(18)10-3-6-15(2)11(17)9-10/h3,6,9H,4-5,7-8H2,1-2H3,(H,19,20)
InChIKeyCBCSVZNROMIWQJ-UHFFFAOYSA-N
XLogP0.71
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid (CID 63123679) is 4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid is Cn1ccc(C(=O)N2CCC(C)(C(=O)O)CC2)cc1=O.
What is the InChIKey of 4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is CBCSVZNROMIWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(13(19)20)4-7-16(8-5-14)12(18)10-3-6-15(2)11(17)9-10/h3,6,9H,4-5,7-8H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid?
4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63123679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).