2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone

C25H28N2O3 — CID 147036315

IUPAC2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(Oc2ccc(-c3cnc4ccccc4c3C)cc2)CC1
InChIInChI=1S/C25H28N2O3/c1-3-29-17-25(28)27-14-12-21(13-15-27)30-20-10-8-19(9-11-20)23-16-26-24-7-5-4-6-22(24)18(23)2/h4-11,16,21H,3,12-15,17H2,1-2H3
InChIKeyAYOKXKXQIUSOCU-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.62
Rot. Bonds6

About 2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone

2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone (PubChem CID 147036315) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone
PubChem CID147036315
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(Oc2ccc(-c3cnc4ccccc4c3C)cc2)CC1
InChIInChI=1S/C25H28N2O3/c1-3-29-17-25(28)27-14-12-21(13-15-27)30-20-10-8-19(9-11-20)23-16-26-24-7-5-4-6-22(24)18(23)2/h4-11,16,21H,3,12-15,17H2,1-2H3
InChIKeyAYOKXKXQIUSOCU-UHFFFAOYSA-N
XLogP4.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
2-ethoxy-1-[4-[4-(5-methylimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]ethanone
CID 147893444
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride
CID 156702413
1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride
CID 156702349
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 90566486
4-methyl-3-(4-methylphenyl)quinoline
CID 59375945
3-[3-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90566265
2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617176
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90559928
2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110397075

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone (CID 147036315) is 2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(Oc2ccc(-c3cnc4ccccc4c3C)cc2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone?
The InChIKey is AYOKXKXQIUSOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-3-29-17-25(28)27-14-12-21(13-15-27)30-20-10-8-19(9-11-20)23-16-26-24-7-5-4-6-22(24)18(23)2/h4-11,16,21H,3,12-15,17H2,1-2H3.
What are the key properties of 2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone?
2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone has a molecular weight of 404.51 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 147036315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).