2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

C26H39N3O — CID 156798625

IUPAC2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
SMILESCC(C)c1ccc(N2CC3(CN(C(=O)CN4CCC(C(C)C)CC45CC5)C3)C2)cc1
InChIInChI=1S/C26H39N3O/c1-19(2)21-5-7-23(8-6-21)27-15-25(16-27)17-28(18-25)24(30)14-29-12-9-22(20(3)4)13-26(29)10-11-26/h5-8,19-20,22H,9-18H2,1-4H3
InChIKeyFPRLCOLDALQLPA-UHFFFAOYSA-N
MW409.62 g/mol
LogP4.36
Rot. Bonds5

About 2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (PubChem CID 156798625) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is 2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.

Molecular Properties

Compound Name2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
PubChem CID156798625
Molecular FormulaC26H39N3O
Molecular Weight409.62 g/mol
Exact Mass409.31
IUPAC Name2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
SMILESCC(C)c1ccc(N2CC3(CN(C(=O)CN4CCC(C(C)C)CC45CC5)C3)C2)cc1
InChIInChI=1S/C26H39N3O/c1-19(2)21-5-7-23(8-6-21)27-15-25(16-27)17-28(18-25)24(30)14-29-12-9-22(20(3)4)13-26(29)10-11-26/h5-8,19-20,22H,9-18H2,1-4H3
InChIKeyFPRLCOLDALQLPA-UHFFFAOYSA-N
XLogP4.36
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone with MolForge

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Related Compounds

2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 156516046
ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 177010663
2-(1-ethyl-4-hydroxypiperidin-4-yl)-1-[7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 177010976
1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103499002
2-[3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013155
1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane
CID 164739201
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
CID 82483749
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482
N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 138530380
1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine
CID 178164584
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254

Frequently Asked Questions

What is the IUPAC name of 2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The IUPAC name of 2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (CID 156798625) is 2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.
What is the SMILES notation for 2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The canonical SMILES for 2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is CC(C)c1ccc(N2CC3(CN(C(=O)CN4CCC(C(C)C)CC45CC5)C3)C2)cc1.
What is the InChIKey of 2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The InChIKey is FPRLCOLDALQLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c1-19(2)21-5-7-23(8-6-21)27-15-25(16-27)17-28(18-25)24(30)14-29-12-9-22(20(3)4)13-26(29)10-11-26/h5-8,19-20,22H,9-18H2,1-4H3.
What are the key properties of 2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone has a molecular weight of 409.62 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-propan-2-yl-4-azaspiro[2.5]octan-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is sourced from PubChem (CID 156798625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).