ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane

C24H49N3O — CID 171641788

IUPACethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC.CC.CCN1CC2(C1)CN(CC1CCC(OC3CCN(C)CC3)CC1)C2
InChIInChI=1S/C20H37N3O.2C2H6/c1-3-22-13-20(14-22)15-23(16-20)12-17-4-6-18(7-5-17)24-19-8-10-21(2)11-9-19;2*1-2/h17-19H,3-16H2,1-2H3;2*1-2H3
InChIKeyHYNUOQQSIWXOOH-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.35
Rot. Bonds5

About ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane

ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 171641788) has the molecular formula C24H49N3O and a molecular weight of 395.68 g/mol. Its IUPAC name is ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Nameethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID171641788
Molecular FormulaC24H49N3O
Molecular Weight395.68 g/mol
Exact Mass395.39
IUPAC Nameethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC.CC.CCN1CC2(C1)CN(CC1CCC(OC3CCN(C)CC3)CC1)C2
InChIInChI=1S/C20H37N3O.2C2H6/c1-3-22-13-20(14-22)15-23(16-20)12-17-4-6-18(7-5-17)24-19-8-10-21(2)11-9-19;2*1-2/h17-19H,3-16H2,1-2H3;2*1-2H3
InChIKeyHYNUOQQSIWXOOH-UHFFFAOYSA-N
XLogP4.35
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane 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;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane (CID 171641788) is ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane is CC.CC.CCN1CC2(C1)CN(CC1CCC(OC3CCN(C)CC3)CC1)C2.
What is the InChIKey of ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is HYNUOQQSIWXOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O.2C2H6/c1-3-22-13-20(14-22)15-23(16-20)12-17-4-6-18(7-5-17)24-19-8-10-21(2)11-9-19;2*1-2/h17-19H,3-16H2,1-2H3;2*1-2H3.
What are the key properties of ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 395.68 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 171641788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).