2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane

C38H72N4O2 — CID 166466663

IUPAC2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane
SMILESCCCN1CCC(CN2CCC3(CC2)CC(OCC)C3)CC1.CCN1CCC(CN2CCC3(CC2)CC(OC(C)C)C3)CC1
InChIInChI=1S/2C19H36N2O/c1-4-20-9-5-17(6-10-20)15-21-11-7-19(8-12-21)13-18(14-19)22-16(2)3;1-3-9-20-10-5-17(6-11-20)16-21-12-7-19(8-13-21)14-18(15-19)22-4-2/h16-18H,4-15H2,1-3H3;17-18H,3-16H2,1-2H3
InChIKeyOHSKHHZISICJDD-UHFFFAOYSA-N
MW617.02 g/mol
LogP6.78
Rot. Bonds11

About 2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane

2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane (PubChem CID 166466663) has the molecular formula C38H72N4O2 and a molecular weight of 617.02 g/mol. Its IUPAC name is 2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane
PubChem CID166466663
Molecular FormulaC38H72N4O2
Molecular Weight617.02 g/mol
Exact Mass616.57
IUPAC Name2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane
SMILESCCCN1CCC(CN2CCC3(CC2)CC(OCC)C3)CC1.CCN1CCC(CN2CCC3(CC2)CC(OC(C)C)C3)CC1
InChIInChI=1S/2C19H36N2O/c1-4-20-9-5-17(6-10-20)15-21-11-7-19(8-12-21)13-18(14-19)22-16(2)3;1-3-9-20-10-5-17(6-11-20)16-21-12-7-19(8-13-21)14-18(15-19)22-4-2/h16-18H,4-15H2,1-3H3;17-18H,3-16H2,1-2H3
InChIKeyOHSKHHZISICJDD-UHFFFAOYSA-N
XLogP6.78
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.02
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane with MolForge

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

Launch Full Analysis

Related Compounds

7-(2-methylpropyl)-2-propan-2-yloxy-7-azaspiro[3.5]nonane
CID 155751089
7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane
CID 155036623
7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 176639274
2-ethoxy-7-propan-2-ylspiro[3.5]nonane
CID 176983956
7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane
CID 175636242
ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 170581774
7-propyl-7-azaspiro[3.5]nonan-2-amine
CID 146389071
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)oxy]ethanamine
CID 171540501
7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane
CID 167292429
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane?
The IUPAC name of 2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane (CID 166466663) is 2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane is CCCN1CCC(CN2CCC3(CC2)CC(OCC)C3)CC1.CCN1CCC(CN2CCC3(CC2)CC(OC(C)C)C3)CC1.
What is the InChIKey of 2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane?
The InChIKey is OHSKHHZISICJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H36N2O/c1-4-20-9-5-17(6-10-20)15-21-11-7-19(8-12-21)13-18(14-19)22-16(2)3;1-3-9-20-10-5-17(6-11-20)16-21-12-7-19(8-13-21)14-18(15-19)22-4-2/h16-18H,4-15H2,1-3H3;17-18H,3-16H2,1-2H3.
What are the key properties of 2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane?
2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane has a molecular weight of 617.02 g/mol, XLogP of 6.78, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 166466663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).