methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

C24H34N4O3 — CID 24798287

IUPACmethyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCOC(=O)N1C2CCC1CC(N1CCC3(CC1)CN(C(=O)N(C)C)c1ccccc13)C2
InChIInChI=1S/C24H34N4O3/c1-25(2)22(29)27-16-24(20-6-4-5-7-21(20)27)10-12-26(13-11-24)19-14-17-8-9-18(15-19)28(17)23(30)31-3/h4-7,17-19H,8-16H2,1-3H3
InChIKeyQBQLJHXXNCESCC-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.28
Rot. Bonds1

About methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 24798287) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID24798287
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Namemethyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCOC(=O)N1C2CCC1CC(N1CCC3(CC1)CN(C(=O)N(C)C)c1ccccc13)C2
InChIInChI=1S/C24H34N4O3/c1-25(2)22(29)27-16-24(20-6-4-5-7-21(20)27)10-12-26(13-11-24)19-14-17-8-9-18(15-19)28(17)23(30)31-3/h4-7,17-19H,8-16H2,1-3H3
InChIKeyQBQLJHXXNCESCC-UHFFFAOYSA-N
XLogP3.28
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 24798287) is methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate is COC(=O)N1C2CCC1CC(N1CCC3(CC1)CN(C(=O)N(C)C)c1ccccc13)C2.
What is the InChIKey of methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is QBQLJHXXNCESCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-25(2)22(29)27-16-24(20-6-4-5-7-21(20)27)10-12-26(13-11-24)19-14-17-8-9-18(15-19)28(17)23(30)31-3/h4-7,17-19H,8-16H2,1-3H3.
What are the key properties of methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 426.56 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 24798287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).