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

C20H37N3O — CID 171641789

IUPAC6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESCCN1CC2(C1)CN(CC1CCC(OC3CCN(C)CC3)CC1)C2
InChIInChI=1S/C20H37N3O/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/h17-19H,3-16H2,1-2H3
InChIKeyVNFPZZVFWAFLBB-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.29
Rot. Bonds5

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

6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 171641789) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is 6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID171641789
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESCCN1CC2(C1)CN(CC1CCC(OC3CCN(C)CC3)CC1)C2
InChIInChI=1S/C20H37N3O/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/h17-19H,3-16H2,1-2H3
InChIKeyVNFPZZVFWAFLBB-UHFFFAOYSA-N
XLogP2.29
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane with MolForge

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Related Compounds

2-Propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane
CID 170617096
7-[[4-(1-Methylpiperidin-4-yl)oxycyclohexyl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 171641507
2-Ethyl-7-[[4-(1-iodopiperidin-4-yl)oxycyclohexyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 171641593
Ethane;6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
CID 171641788
6-Ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene
CID 171641851
2-Methyl-6-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.4]octane
CID 171641904
7-[1-[[1-(2-Methylpropyl)cyclopropyl]methyl]piperidin-4-yl]oxy-2-propan-2-yl-2-azaspiro[3.5]nonane
CID 171748417
2-Methyl-7-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174253237
2-Ethyl-7-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174253680
2-Methyl-7-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]oxy-2-azaspiro[3.5]nonane
CID 174276887
2-Tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
CID 176634081
6-Ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane
CID 171641852

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane (CID 171641789) is 6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane is CCN1CC2(C1)CN(CC1CCC(OC3CCN(C)CC3)CC1)C2.
What is the InChIKey of 6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is VNFPZZVFWAFLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O/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/h17-19H,3-16H2,1-2H3.
What are the key properties of 6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 335.54 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 171641789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).