1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one

C18H26N2O2 — CID 110855976

IUPAC1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one
SMILESCCC1CCCCN1C(=O)c1c(C)cc(C)n(C2CC2)c1=O
InChIInChI=1S/C18H26N2O2/c1-4-14-7-5-6-10-19(14)17(21)16-12(2)11-13(3)20(18(16)22)15-8-9-15/h11,14-15H,4-10H2,1-3H3
InChIKeyKXMYJYBZVYAMLV-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.20
Rot. Bonds3

About 1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one

1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one (PubChem CID 110855976) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one
PubChem CID110855976
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one
SMILESCCC1CCCCN1C(=O)c1c(C)cc(C)n(C2CC2)c1=O
InChIInChI=1S/C18H26N2O2/c1-4-14-7-5-6-10-19(14)17(21)16-12(2)11-13(3)20(18(16)22)15-8-9-15/h11,14-15H,4-10H2,1-3H3
InChIKeyKXMYJYBZVYAMLV-UHFFFAOYSA-N
XLogP3.20
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one (CID 110855976) is 1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one is CCC1CCCCN1C(=O)c1c(C)cc(C)n(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one?
The InChIKey is KXMYJYBZVYAMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-14-7-5-6-10-19(14)17(21)16-12(2)11-13(3)20(18(16)22)15-8-9-15/h11,14-15H,4-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one?
1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one has a molecular weight of 302.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-ethylpiperidine-1-carbonyl)-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 110855976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).