7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one

C24H35N3O2 — CID 175913034

IUPAC7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one
SMILESCC(C)COc1ccc(CN2CC3(CC3)CN(C3CC4(C3)CN(C)C4)C2=O)cc1
InChIInChI=1S/C24H35N3O2/c1-18(2)13-29-21-6-4-19(5-7-21)12-26-16-23(8-9-23)17-27(22(26)28)20-10-24(11-20)14-25(3)15-24/h4-7,18,20H,8-17H2,1-3H3
InChIKeyICIASMMAYOIKSO-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.83
Rot. Bonds6

About 7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one

7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one (PubChem CID 175913034) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one.

Molecular Properties

Compound Name7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one
PubChem CID175913034
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one
SMILESCC(C)COc1ccc(CN2CC3(CC3)CN(C3CC4(C3)CN(C)C4)C2=O)cc1
InChIInChI=1S/C24H35N3O2/c1-18(2)13-29-21-6-4-19(5-7-21)12-26-16-23(8-9-23)17-27(22(26)28)20-10-24(11-20)14-25(3)15-24/h4-7,18,20H,8-17H2,1-3H3
InChIKeyICIASMMAYOIKSO-UHFFFAOYSA-N
XLogP3.83
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one with MolForge

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Related Compounds

5-[[4-(2-methylpropoxy)phenyl]methyl]-7-(1-propan-2-ylpiperidin-4-yl)-5,7-diazaspiro[2.5]octan-6-one
CID 175913039
5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one
CID 175913038
5-methyl-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]-5-phenyl-1,3-diazinan-2-one
CID 175913031
2-(dimethylamino)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5-azaspiro[2.5]octan-6-one
CID 175913088
2-[[4-(2-methylpropoxy)phenyl]methyl]-4-piperidin-4-yl-1,5-dihydro-2,4-benzodiazepin-3-one
CID 166492608
1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690490
[1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672681
7-fluoro-4-(3-fluoro-1-methylpiperidin-4-yl)-2-[[4-(2-methylpropoxy)phenyl]methyl]-1,5-dihydro-2,4-benzodiazepin-3-one
CID 166818500
1-[(4-fluorophenyl)methyl]-8-methyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one
CID 22386687
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
(3aS,8R,8aS)-5,7-dibenzyl-2,2-dimethyl-2'-[4-(2-methylpropoxy)phenyl]-8-[[4-(2-methylpropoxy)phenyl]methyl]spiro[8,8a-dihydro-3aH-[1,3]dioxolo[4,5-e][1,3]diazepine-4,1'-cyclopropane]-6-one
CID 143297287
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione
CID 98277402

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one?
The IUPAC name of 7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one (CID 175913034) is 7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one.
What is the SMILES notation for 7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one?
The canonical SMILES for 7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one is CC(C)COc1ccc(CN2CC3(CC3)CN(C3CC4(C3)CN(C)C4)C2=O)cc1.
What is the InChIKey of 7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one?
The InChIKey is ICIASMMAYOIKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-18(2)13-29-21-6-4-19(5-7-21)12-26-16-23(8-9-23)17-27(22(26)28)20-10-24(11-20)14-25(3)15-24/h4-7,18,20H,8-17H2,1-3H3.
What are the key properties of 7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one?
7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one has a molecular weight of 397.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-5,7-diazaspiro[2.5]octan-6-one is sourced from PubChem (CID 175913034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).