N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide

C26H31N3O2 — CID 10180240

IUPACN-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)CCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C26H31N3O2/c1-27-25(31)23-18-20-7-3-5-9-22(20)29(23)24(30)11-15-28-16-13-26(14-17-28)12-10-19-6-2-4-8-21(19)26/h2-9,23H,10-18H2,1H3,(H,27,31)
InChIKeyFJUXHRTXKASKAZ-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.06
Rot. Bonds4

About N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide

N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 10180240) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID10180240
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)CCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C26H31N3O2/c1-27-25(31)23-18-20-7-3-5-9-22(20)29(23)24(30)11-15-28-16-13-26(14-17-28)12-10-19-6-2-4-8-21(19)26/h2-9,23H,10-18H2,1H3,(H,27,31)
InChIKeyFJUXHRTXKASKAZ-UHFFFAOYSA-N
XLogP3.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide (CID 10180240) is N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)CCN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is FJUXHRTXKASKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-27-25(31)23-18-20-7-3-5-9-22(20)29(23)24(30)11-15-28-16-13-26(14-17-28)12-10-19-6-2-4-8-21(19)26/h2-9,23H,10-18H2,1H3,(H,27,31).
What are the key properties of N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide?
N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 10180240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).