1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

C34H44N6O3 — CID 22091640

About 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 22091640) has the molecular formula C34H44N6O3 and a molecular weight of 584.77 g/mol. Its IUPAC name is 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

• Compound Name: 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
• PubChem CID: 22091640
• Molecular Formula: C34H44N6O3
• Molecular Weight: 584.77 g/mol
• Exact Mass: 584.35
• IUPAC Name: 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
• SMILES: CN(C)C(=O)C1CC2(CCN(C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)N(C)C3CCCNC3)CC2)c2ccccc21
• InChI: InChI=1S/C34H44N6O3/c1-38(2)31(41)27-20-34(28-12-6-4-11-26(27)28)14-17-40(18-15-34)32(42)30(19-23-21-36-29-13-7-5-10-25(23)29)37-33(43)39(3)24-9-8-16-35-22-24/h4-7,10-13,21,24,27,30,35-36H,8-9,14-20,22H2,1-3H3,(H,37,43)
• InChIKey: ZJJOUCFBVHDUDM-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 100.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.77
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

The IUPAC name of 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 22091640) is 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

What is the SMILES notation for 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

The canonical SMILES for 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)C1CC2(CCN(C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)N(C)C3CCCNC3)CC2)c2ccccc21.

What is the InChIKey of 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

The InChIKey is ZJJOUCFBVHDUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N6O3/c1-38(2)31(41)27-20-34(28-12-6-4-11-26(27)28)14-17-40(18-15-34)32(42)30(19-23-21-36-29-13-7-5-10-25(23)29)37-33(43)39(3)24-9-8-16-35-22-24/h4-7,10-13,21,24,27,30,35-36H,8-9,14-20,22H2,1-3H3,(H,37,43).

What are the key properties of 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 584.77 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[3-(1H-indol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 22091640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).