N,N-dimethyl-1'-[3-(1-methylindol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

C35H46N6O3 — CID 22091695

About N,N-dimethyl-1'-[3-(1-methylindol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

N,N-dimethyl-1'-[3-(1-methylindol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 22091695) has the molecular formula C35H46N6O3 and a molecular weight of 598.79 g/mol. Its IUPAC name is N,N-dimethyl-1'-[3-(1-methylindol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-1'-[3-(1-methylindol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
• PubChem CID: 22091695
• Molecular Formula: C35H46N6O3
• Molecular Weight: 598.79 g/mol
• Exact Mass: 598.36
• IUPAC Name: N,N-dimethyl-1'-[3-(1-methylindol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
• SMILES: CN(C)C(=O)C1CC2(CCN(C(=O)C(Cc3cn(C)c4ccccc34)NC(=O)N(C)C3CCCNC3)CC2)c2ccccc21
• InChI: InChI=1S/C35H46N6O3/c1-38(2)32(42)28-21-35(29-13-7-5-12-27(28)29)15-18-41(19-16-35)33(43)30(37-34(44)40(4)25-10-9-17-36-22-25)20-24-23-39(3)31-14-8-6-11-26(24)31/h5-8,11-14,23,25,28,30,36H,9-10,15-22H2,1-4H3,(H,37,44)
• InChIKey: OZTOWRUAZAVTGV-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 89.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.79
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-1'-[3-(1-methylindol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 22091695) is N,N-dimethyl-1'-[3-(1-methylindol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

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

The canonical SMILES for N,N-dimethyl-1'-[3-(1-methylindol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)C1CC2(CCN(C(=O)C(Cc3cn(C)c4ccccc34)NC(=O)N(C)C3CCCNC3)CC2)c2ccccc21.

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

The InChIKey is OZTOWRUAZAVTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N6O3/c1-38(2)32(42)28-21-35(29-13-7-5-12-27(28)29)15-18-41(19-16-35)33(43)30(37-34(44)40(4)25-10-9-17-36-22-25)20-24-23-39(3)31-14-8-6-11-26(24)31/h5-8,11-14,23,25,28,30,36H,9-10,15-22H2,1-4H3,(H,37,44).

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

N,N-dimethyl-1'-[3-(1-methylindol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 598.79 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1'-[3-(1-methylindol-3-yl)-2-[[methyl(piperidin-3-yl)carbamoyl]amino]propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 22091695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).