(2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

C20H27N3O3 — CID 70786679

IUPAC(2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCCC(c2nccn2CCOC)C1
InChIInChI=1S/C20H27N3O3/c1-3-26-18-9-5-4-8-17(18)20(24)23-11-6-7-16(15-23)19-21-10-12-22(19)13-14-25-2/h4-5,8-10,12,16H,3,6-7,11,13-15H2,1-2H3
InChIKeyHXOLMDDUZZRIRQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.95
Rot. Bonds7

About (2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

(2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 70786679) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID70786679
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCCC(c2nccn2CCOC)C1
InChIInChI=1S/C20H27N3O3/c1-3-26-18-9-5-4-8-17(18)20(24)23-11-6-7-16(15-23)19-21-10-12-22(19)13-14-25-2/h4-5,8-10,12,16H,3,6-7,11,13-15H2,1-2H3
InChIKeyHXOLMDDUZZRIRQ-UHFFFAOYSA-N
XLogP2.95
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 70786679) is (2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCCC(c2nccn2CCOC)C1.
What is the InChIKey of (2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is HXOLMDDUZZRIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-26-18-9-5-4-8-17(18)20(24)23-11-6-7-16(15-23)19-21-10-12-22(19)13-14-25-2/h4-5,8-10,12,16H,3,6-7,11,13-15H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 357.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70786679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).