1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea

C36H46N6O3 — CID 59901134

About 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea

1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea (PubChem CID 59901134) has the molecular formula C36H46N6O3 and a molecular weight of 610.80 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea.

Molecular Properties

• Compound Name: 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea
• PubChem CID: 59901134
• Molecular Formula: C36H46N6O3
• Molecular Weight: 610.80 g/mol
• Exact Mass: 610.36
• IUPAC Name: 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea
• SMILES: O=C(NC1CCCNC1)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](C(=O)N1CCCCC1)c1ccccc12
• InChI: InChI=1S/C36H46N6O3/c43-33(41-17-6-1-7-18-41)29-22-36(30-12-4-2-11-28(29)30)14-19-42(20-15-36)34(44)32(40-35(45)39-26-9-8-16-37-24-26)21-25-23-38-31-13-5-3-10-27(25)31/h2-5,10-13,23,26,29,32,37-38H,1,6-9,14-22,24H2,(H2,39,40,45)/t26?,29-,32?/m1/s1
• InChIKey: YZTNKGQPJWSPQU-FYLLWHEGSA-N
• XLogP: 4.19
• TPSA: 109.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.80
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea?

The IUPAC name of 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea (CID 59901134) is 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea.

What is the SMILES notation for 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea?

The canonical SMILES for 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea is O=C(NC1CCCNC1)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](C(=O)N1CCCCC1)c1ccccc12.

What is the InChIKey of 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea?

The InChIKey is YZTNKGQPJWSPQU-FYLLWHEGSA-N. The full InChI is InChI=1S/C36H46N6O3/c43-33(41-17-6-1-7-18-41)29-22-36(30-12-4-2-11-28(29)30)14-19-42(20-15-36)34(44)32(40-35(45)39-26-9-8-16-37-24-26)21-25-23-38-31-13-5-3-10-27(25)31/h2-5,10-13,23,26,29,32,37-38H,1,6-9,14-22,24H2,(H2,39,40,45)/t26?,29-,32?/m1/s1.

What are the key properties of 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea?

1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea has a molecular weight of 610.80 g/mol, XLogP of 4.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1H-indol-3-yl)-1-oxo-1-[(1R)-1-(piperidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-2-yl]-3-piperidin-3-ylurea is sourced from PubChem (CID 59901134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).