3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C17H22N4O2 — CID 72887010

IUPAC3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCn1ccnc1C1CCCN(C(=O)c2ccc(C)[nH]c2=O)C1
InChIInChI=1S/C17H22N4O2/c1-3-20-10-8-18-15(20)13-5-4-9-21(11-13)17(23)14-7-6-12(2)19-16(14)22/h6-8,10,13H,3-5,9,11H2,1-2H3,(H,19,22)
InChIKeyUYIOBXXSNJFBPF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.92
Rot. Bonds3

About 3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 72887010) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID72887010
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCn1ccnc1C1CCCN(C(=O)c2ccc(C)[nH]c2=O)C1
InChIInChI=1S/C17H22N4O2/c1-3-20-10-8-18-15(20)13-5-4-9-21(11-13)17(23)14-7-6-12(2)19-16(14)22/h6-8,10,13H,3-5,9,11H2,1-2H3,(H,19,22)
InChIKeyUYIOBXXSNJFBPF-UHFFFAOYSA-N
XLogP1.92
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 72887010) is 3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is CCn1ccnc1C1CCCN(C(=O)c2ccc(C)[nH]c2=O)C1.
What is the InChIKey of 3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is UYIOBXXSNJFBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-20-10-8-18-15(20)13-5-4-9-21(11-13)17(23)14-7-6-12(2)19-16(14)22/h6-8,10,13H,3-5,9,11H2,1-2H3,(H,19,22).
What are the key properties of 3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 72887010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).