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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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).