2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

C18H23N3O2 — CID 70757337

IUPAC2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCCOc1ccccc1CC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C18H23N3O2/c1-2-23-16-8-4-3-6-14(16)12-17(22)21-11-5-7-15(13-21)18-19-9-10-20-18/h3-4,6,8-10,15H,2,5,7,11-13H2,1H3,(H,19,20)
InChIKeyARJSXNJHBBQEHE-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.76
Rot. Bonds5

About 2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 70757337) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID70757337
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCCOc1ccccc1CC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C18H23N3O2/c1-2-23-16-8-4-3-6-14(16)12-17(22)21-11-5-7-15(13-21)18-19-9-10-20-18/h3-4,6,8-10,15H,2,5,7,11-13H2,1H3,(H,19,20)
InChIKeyARJSXNJHBBQEHE-UHFFFAOYSA-N
XLogP2.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 70757337) is 2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is CCOc1ccccc1CC(=O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is ARJSXNJHBBQEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-23-16-8-4-3-6-14(16)12-17(22)21-11-5-7-15(13-21)18-19-9-10-20-18/h3-4,6,8-10,15H,2,5,7,11-13H2,1H3,(H,19,20).
What are the key properties of 2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70757337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).