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

C22H32N4O3 — CID 24798108

IUPACmethyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccccc23)CC1
InChIInChI=1S/C22H32N4O3/c1-23(2)20(27)26-16-22(18-6-4-5-7-19(18)26)10-14-24(15-11-22)17-8-12-25(13-9-17)21(28)29-3/h4-7,17H,8-16H2,1-3H3
InChIKeyXBZXYHBGZUHCMV-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.75
Rot. Bonds1

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

methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 24798108) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID24798108
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Namemethyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccccc23)CC1
InChIInChI=1S/C22H32N4O3/c1-23(2)20(27)26-16-22(18-6-4-5-7-19(18)26)10-14-24(15-11-22)17-8-12-25(13-9-17)21(28)29-3/h4-7,17H,8-16H2,1-3H3
InChIKeyXBZXYHBGZUHCMV-UHFFFAOYSA-N
XLogP2.75
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 24798108) is methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is COC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccccc23)CC1.
What is the InChIKey of methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is XBZXYHBGZUHCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-23(2)20(27)26-16-22(18-6-4-5-7-19(18)26)10-14-24(15-11-22)17-8-12-25(13-9-17)21(28)29-3/h4-7,17H,8-16H2,1-3H3.
What are the key properties of methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 400.52 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 24798108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).