7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane

C25H45N3O — CID 174276897

IUPAC7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane
SMILESCCC1(CN2CCC(OC3CCN(C4CCC5(CC4)CN(C)C5)CC3)CC2)CC1
InChIInChI=1S/C25H45N3O/c1-3-24(12-13-24)20-27-14-6-22(7-15-27)29-23-8-16-28(17-9-23)21-4-10-25(11-5-21)18-26(2)19-25/h21-23H,3-20H2,1-2H3
InChIKeyROOLCQFYZHQKIR-UHFFFAOYSA-N
MW403.66 g/mol
LogP4.00
Rot. Bonds6

About 7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane

7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane (PubChem CID 174276897) has the molecular formula C25H45N3O and a molecular weight of 403.66 g/mol. Its IUPAC name is 7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane
PubChem CID174276897
Molecular FormulaC25H45N3O
Molecular Weight403.66 g/mol
Exact Mass403.36
IUPAC Name7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane
SMILESCCC1(CN2CCC(OC3CCN(C4CCC5(CC4)CN(C)C5)CC3)CC2)CC1
InChIInChI=1S/C25H45N3O/c1-3-24(12-13-24)20-27-14-6-22(7-15-27)29-23-8-16-28(17-9-23)21-4-10-25(11-5-21)18-26(2)19-25/h21-23H,3-20H2,1-2H3
InChIKeyROOLCQFYZHQKIR-UHFFFAOYSA-N
XLogP4.00
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.66
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776
7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276821
1-[(4-ethylpiperidin-4-yl)methyl]-4-methoxypiperidine
CID 55177605
(3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine
CID 176919410
ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
CID 171786154
7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 171656732
2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane
CID 176936324
2-ethyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
CID 169257530
7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane
CID 170371772
ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine
CID 171786139
7-methyl-2-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174349945
2-[(1-ethylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114124886

Frequently Asked Questions

What is the IUPAC name of 7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane?
The IUPAC name of 7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane (CID 174276897) is 7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane is CCC1(CN2CCC(OC3CCN(C4CCC5(CC4)CN(C)C5)CC3)CC2)CC1.
What is the InChIKey of 7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane?
The InChIKey is ROOLCQFYZHQKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N3O/c1-3-24(12-13-24)20-27-14-6-22(7-15-27)29-23-8-16-28(17-9-23)21-4-10-25(11-5-21)18-26(2)19-25/h21-23H,3-20H2,1-2H3.
What are the key properties of 7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane?
7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane has a molecular weight of 403.66 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[1-[(1-ethylcyclopropyl)methyl]piperidin-4-yl]oxypiperidin-1-yl]-2-methyl-2-azaspiro[3.5]nonane is sourced from PubChem (CID 174276897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).