ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone

C20H41N3O2 — CID 176985365

IUPACethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone
SMILESCC.CCC1CCN(C(=O)COCCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O2.C2H6/c1-4-17-5-7-21(8-6-17)18(22)15-23-14-13-19-9-11-20(12-10-19)16(2)3;1-2/h16-17H,4-15H2,1-3H3;1-2H3
InChIKeyOYDLVWDAKUBYOK-UHFFFAOYSA-N
MW355.57 g/mol
LogP2.70
Rot. Bonds7

About ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone

ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone (PubChem CID 176985365) has the molecular formula C20H41N3O2 and a molecular weight of 355.57 g/mol. Its IUPAC name is ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone.

Molecular Properties

Compound Nameethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone
PubChem CID176985365
Molecular FormulaC20H41N3O2
Molecular Weight355.57 g/mol
Exact Mass355.32
IUPAC Nameethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone
SMILESCC.CCC1CCN(C(=O)COCCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O2.C2H6/c1-4-17-5-7-21(8-6-17)18(22)15-23-14-13-19-9-11-20(12-10-19)16(2)3;1-2/h16-17H,4-15H2,1-3H3;1-2H3
InChIKeyOYDLVWDAKUBYOK-UHFFFAOYSA-N
XLogP2.70
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone 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 ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone?
The IUPAC name of ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone (CID 176985365) is ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone.
What is the SMILES notation for ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone?
The canonical SMILES for ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone is CC.CCC1CCN(C(=O)COCCN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone?
The InChIKey is OYDLVWDAKUBYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2.C2H6/c1-4-17-5-7-21(8-6-17)18(22)15-23-14-13-19-9-11-20(12-10-19)16(2)3;1-2/h16-17H,4-15H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone?
ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone has a molecular weight of 355.57 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone is sourced from PubChem (CID 176985365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).