2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one

C17H32N2O2 — CID 91916415

IUPAC2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(OC2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-4-14(5-2)17(20)19-12-8-16(9-13-19)21-15-6-10-18(3)11-7-15/h14-16H,4-13H2,1-3H3
InChIKeyURLUPOWILZXEQI-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.52
Rot. Bonds5

About 2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one

2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one (PubChem CID 91916415) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one
PubChem CID91916415
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(OC2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-4-14(5-2)17(20)19-12-8-16(9-13-19)21-15-6-10-18(3)11-7-15/h14-16H,4-13H2,1-3H3
InChIKeyURLUPOWILZXEQI-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one (CID 91916415) is 2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCC(OC2CCN(C)CC2)CC1.
What is the InChIKey of 2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one?
The InChIKey is URLUPOWILZXEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-14(5-2)17(20)19-12-8-16(9-13-19)21-15-6-10-18(3)11-7-15/h14-16H,4-13H2,1-3H3.
What are the key properties of 2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one?
2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one is sourced from PubChem (CID 91916415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).