4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C17H22N4O2 — CID 56779745

IUPAC4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCCc1nccn1C1CCCN(C(=O)c2ccn(C)c(=O)c2)C1
InChIInChI=1S/C17H22N4O2/c1-3-15-18-7-10-21(15)14-5-4-8-20(12-14)17(23)13-6-9-19(2)16(22)11-13/h6-7,9-11,14H,3-5,8,12H2,1-2H3
InChIKeyYCVRTJQQNCHKRQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.62
Rot. Bonds3

About 4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one

4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 56779745) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID56779745
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCCc1nccn1C1CCCN(C(=O)c2ccn(C)c(=O)c2)C1
InChIInChI=1S/C17H22N4O2/c1-3-15-18-7-10-21(15)14-5-4-8-20(12-14)17(23)13-6-9-19(2)16(22)11-13/h6-7,9-11,14H,3-5,8,12H2,1-2H3
InChIKeyYCVRTJQQNCHKRQ-UHFFFAOYSA-N
XLogP1.62
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 56779745) is 4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one is CCc1nccn1C1CCCN(C(=O)c2ccn(C)c(=O)c2)C1.
What is the InChIKey of 4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is YCVRTJQQNCHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-15-18-7-10-21(15)14-5-4-8-20(12-14)17(23)13-6-9-19(2)16(22)11-13/h6-7,9-11,14H,3-5,8,12H2,1-2H3.
What are the key properties of 4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 56779745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).