1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole

C80H107N13O — CID 157486596

About 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole

1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole (PubChem CID 157486596) has the molecular formula C80H107N13O and a molecular weight of 1266.83 g/mol. Its IUPAC name is 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole.

Molecular Properties

• Compound Name: 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole
• PubChem CID: 157486596
• Molecular Formula: C80H107N13O
• Molecular Weight: 1266.83 g/mol
• Exact Mass: 1265.87
• IUPAC Name: 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole
• SMILES: CC(C)N1CCN(CCNC2CCN(c3cncc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCOC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CN1CCN(C2CCN(c3cccc(C4=Cc5ccccc5C4)c3)CC2)CC1
• InChI: InChI=1S/C28H38N4O.C27H38N6.C25H31N3/c1-22(2)31-16-14-30(15-17-31)18-19-33-26-10-12-32(13-11-26)25-8-5-7-23(20-25)28-21-24-6-3-4-9-27(24)29-28;1-21(2)32-15-13-31(14-16-32)12-9-29-24-7-10-33(11-8-24)25-17-23(19-28-20-25)27-18-22-5-3-4-6-26(22)30-27;1-26-13-15-28(16-14-26)24-9-11-27(12-10-24)25-8-4-7-22(19-25)23-17-20-5-2-3-6-21(20)18-23/h3-9,20-22,26,29H,10-19H2,1-2H3;3-6,17-21,24,29-30H,7-16H2,1-2H3;2-8,17,19,24H,9-16,18H2,1H3
• InChIKey: BWUBQOQMOJUPAU-UHFFFAOYSA-N
• XLogP: 12.66
• TPSA: 94.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1266.83
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole?

The IUPAC name of 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole (CID 157486596) is 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole.

What is the SMILES notation for 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole?

The canonical SMILES for 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole is CC(C)N1CCN(CCNC2CCN(c3cncc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCOC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CN1CCN(C2CCN(c3cccc(C4=Cc5ccccc5C4)c3)CC2)CC1.

What is the InChIKey of 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole?

The InChIKey is BWUBQOQMOJUPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O.C27H38N6.C25H31N3/c1-22(2)31-16-14-30(15-17-31)18-19-33-26-10-12-32(13-11-26)25-8-5-7-23(20-25)28-21-24-6-3-4-9-27(24)29-28;1-21(2)32-15-13-31(14-16-32)12-9-29-24-7-10-33(11-8-24)25-17-23(19-28-20-25)27-18-22-5-3-4-6-26(22)30-27;1-26-13-15-28(16-14-26)24-9-11-27(12-10-24)25-8-4-7-22(19-25)23-17-20-5-2-3-6-21(20)18-23/h3-9,20-22,26,29H,10-19H2,1-2H3;3-6,17-21,24,29-30H,7-16H2,1-2H3;2-8,17,19,24H,9-16,18H2,1H3.

What are the key properties of 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole?

1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole has a molecular weight of 1266.83 g/mol, XLogP of 12.66, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole is sourced from PubChem (CID 157486596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).