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

C15H20N2O4 — CID 63125300

IUPAC4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-3-15(14(20)21)5-8-17(9-6-15)13(19)11-4-7-16(2)12(18)10-11/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,20,21)
InChIKeyPCHYRUDPJQYIMO-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.10
Rot. Bonds3

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

4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63125300) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID63125300
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-3-15(14(20)21)5-8-17(9-6-15)13(19)11-4-7-16(2)12(18)10-11/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,20,21)
InChIKeyPCHYRUDPJQYIMO-UHFFFAOYSA-N
XLogP1.10
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid (CID 63125300) is 4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is PCHYRUDPJQYIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-15(14(20)21)5-8-17(9-6-15)13(19)11-4-7-16(2)12(18)10-11/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63125300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).