1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C16H22N2O5 — CID 56867986

IUPAC1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCCc1c(C)cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(=O)n1C
InChIInChI=1S/C16H22N2O5/c1-4-12-10(2)9-11(13(19)17(12)3)14(20)18-7-5-16(23,6-8-18)15(21)22/h9,23H,4-8H2,1-3H3,(H,21,22)
InChIKeyXUQPFDXTSRWQQR-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.31
Rot. Bonds3

About 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 56867986) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID56867986
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCCc1c(C)cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(=O)n1C
InChIInChI=1S/C16H22N2O5/c1-4-12-10(2)9-11(13(19)17(12)3)14(20)18-7-5-16(23,6-8-18)15(21)22/h9,23H,4-8H2,1-3H3,(H,21,22)
InChIKeyXUQPFDXTSRWQQR-UHFFFAOYSA-N
XLogP0.31
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 56867986) is 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is CCc1c(C)cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(=O)n1C.
What is the InChIKey of 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is XUQPFDXTSRWQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-12-10(2)9-11(13(19)17(12)3)14(20)18-7-5-16(23,6-8-18)15(21)22/h9,23H,4-8H2,1-3H3,(H,21,22).
What are the key properties of 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 56867986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).