1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one

C115H123Br2N9O13 — CID 158033450

About 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one

1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 158033450) has the molecular formula C115H123Br2N9O13 and a molecular weight of 1999.11 g/mol. Its IUPAC name is 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

• Compound Name: 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one
• PubChem CID: 158033450
• Molecular Formula: C115H123Br2N9O13
• Molecular Weight: 1999.11 g/mol
• Exact Mass: 1995.76
• IUPAC Name: 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one
• SMILES: CC(=O)c1c(C)n(CCCN2CCC3(CC2)CC(=O)c2ccccc2O3)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC3(CC2)CC(=O)c2ccccc2O3)c2c(Br)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(N4C(=O)Cc5ccccc54)CC3)c12
• InChI: InChI=1S/C33H35N3O3.C29H32N2O4.C27H29BrN2O3.C26H27BrN2O3/c1-39-31-14-7-12-27-28(30(37)21-24-9-3-2-4-10-24)23-35(33(27)31)18-8-17-34-19-15-26(16-20-34)36-29-13-6-5-11-25(29)22-32(36)38;1-34-26-9-4-7-21-23(28(33)20-10-11-20)19-31(27(21)26)15-5-14-30-16-12-29(13-17-30)18-24(32)22-6-2-3-8-25(22)35-29;1-18-25(19(2)31)21-8-5-9-22(28)26(21)30(18)14-6-13-29-15-11-27(12-16-29)17-23(32)20-7-3-4-10-24(20)33-27;1-18(30)21-17-29(25-19(21)7-4-8-22(25)27)13-5-12-28-14-10-26(11-15-28)16-23(31)20-6-2-3-9-24(20)32-26/h2-7,9-14,23,26H,8,15-22H2,1H3;2-4,6-9,19-20H,5,10-18H2,1H3;3-5,7-10H,6,11-17H2,1-2H3;2-4,6-9,17H,5,10-16H2,1H3
• InChIKey: FHLOGMHHRBQGGD-UHFFFAOYSA-N
• XLogP: 21.95
• TPSA: 218.63 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1999.11
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one?

The IUPAC name of 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one (CID 158033450) is 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one.

What is the SMILES notation for 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one?

The canonical SMILES for 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one is CC(=O)c1c(C)n(CCCN2CCC3(CC2)CC(=O)c2ccccc2O3)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC3(CC2)CC(=O)c2ccccc2O3)c2c(Br)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(N4C(=O)Cc5ccccc54)CC3)c12.

What is the InChIKey of 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one?

The InChIKey is FHLOGMHHRBQGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O3.C29H32N2O4.C27H29BrN2O3.C26H27BrN2O3/c1-39-31-14-7-12-27-28(30(37)21-24-9-3-2-4-10-24)23-35(33(27)31)18-8-17-34-19-15-26(16-20-34)36-29-13-6-5-11-25(29)22-32(36)38;1-34-26-9-4-7-21-23(28(33)20-10-11-20)19-31(27(21)26)15-5-14-30-16-12-29(13-17-30)18-24(32)22-6-2-3-8-25(22)35-29;1-18-25(19(2)31)21-8-5-9-22(28)26(21)30(18)14-6-13-29-15-11-27(12-16-29)17-23(32)20-7-3-4-10-24(20)33-27;1-18(30)21-17-29(25-19(21)7-4-8-22(25)27)13-5-12-28-14-10-26(11-15-28)16-23(31)20-6-2-3-9-24(20)32-26/h2-7,9-14,23,26H,8,15-22H2,1H3;2-4,6-9,19-20H,5,10-18H2,1H3;3-5,7-10H,6,11-17H2,1-2H3;2-4,6-9,17H,5,10-16H2,1H3.

What are the key properties of 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one?

1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 1999.11 g/mol, XLogP of 21.95, 26 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[3-(3-acetyl-7-bromoindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 158033450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).