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

C18H26N2O4 — CID 72894986

IUPAC3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCCn1c(C)cc(C)c(C(=O)N2CCCC(CC)(C(=O)O)C2)c1=O
InChIInChI=1S/C18H26N2O4/c1-5-18(17(23)24)8-7-9-19(11-18)15(21)14-12(3)10-13(4)20(6-2)16(14)22/h10H,5-9,11H2,1-4H3,(H,23,24)
InChIKeyMUSVURBYIOUPEW-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.20
Rot. Bonds4

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

3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 72894986) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID72894986
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCCn1c(C)cc(C)c(C(=O)N2CCCC(CC)(C(=O)O)C2)c1=O
InChIInChI=1S/C18H26N2O4/c1-5-18(17(23)24)8-7-9-19(11-18)15(21)14-12(3)10-13(4)20(6-2)16(14)22/h10H,5-9,11H2,1-4H3,(H,23,24)
InChIKeyMUSVURBYIOUPEW-UHFFFAOYSA-N
XLogP2.20
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid (CID 72894986) is 3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid is CCn1c(C)cc(C)c(C(=O)N2CCCC(CC)(C(=O)O)C2)c1=O.
What is the InChIKey of 3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is MUSVURBYIOUPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-18(17(23)24)8-7-9-19(11-18)15(21)14-12(3)10-13(4)20(6-2)16(14)22/h10H,5-9,11H2,1-4H3,(H,23,24).
What are the key properties of 3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid?
3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72894986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).