2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone

C15H28N2O3 — CID 90616245

IUPAC2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(N2CCC(OC)CC2)CC1
InChIInChI=1S/C15H28N2O3/c1-3-20-12-15(18)17-8-4-13(5-9-17)16-10-6-14(19-2)7-11-16/h13-14H,3-12H2,1-2H3
InChIKeyGJGMZLYAYAGOKX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.12
Rot. Bonds5

About 2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone

2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone (PubChem CID 90616245) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
PubChem CID90616245
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(N2CCC(OC)CC2)CC1
InChIInChI=1S/C15H28N2O3/c1-3-20-12-15(18)17-8-4-13(5-9-17)16-10-6-14(19-2)7-11-16/h13-14H,3-12H2,1-2H3
InChIKeyGJGMZLYAYAGOKX-UHFFFAOYSA-N
XLogP1.12
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.12
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-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone (CID 90616245) is 2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(N2CCC(OC)CC2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is GJGMZLYAYAGOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-20-12-15(18)17-8-4-13(5-9-17)16-10-6-14(19-2)7-11-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
2-ethoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 284.40 g/mol, XLogP of 1.12, 5 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-methoxypiperidin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 90616245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).