N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

C116H155FN18 — CID 159757487

About N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (PubChem CID 159757487) has the molecular formula C116H155FN18 and a molecular weight of 1820.64 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.

Molecular Properties

• Compound Name: N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
• PubChem CID: 159757487
• Molecular Formula: C116H155FN18
• Molecular Weight: 1820.64 g/mol
• Exact Mass: 1819.27
• IUPAC Name: N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
• SMILES: CC(C)(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(C2(CCC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.C[C@@H]1CN(CCNC2CCN(c3cccc(C4=Cc5ccccc5C4)c3)CC2)C[C@H](C)N1C
• InChI: InChI=1S/C32H43FN4.C29H41N5.C29H40N4.C26H31N5/c1-24(2)35-17-19-37(20-18-35)32(12-4-13-32)14-9-25-10-15-36(16-11-25)29-6-3-5-26(22-29)31-23-27-21-28(33)7-8-30(27)34-31;1-29(2,3)34-19-17-32(18-20-34)16-13-30-25-11-14-33(15-12-25)26-9-6-8-23(21-26)28-22-24-7-4-5-10-27(24)31-28;1-22-20-32(21-23(2)31(22)3)16-13-30-28-11-14-33(15-12-28)29-10-6-9-26(19-29)27-17-24-7-4-5-8-25(24)18-27;1-30-11-7-22(8-12-30)28-23-9-13-31(14-10-23)24-4-2-3-20(16-24)26-17-21-15-19(18-27)5-6-25(21)29-26/h3,5-8,21-25,34H,4,9-20H2,1-2H3;4-10,21-22,25,30-31H,11-20H2,1-3H3;4-10,17,19,22-23,28,30H,11-16,18,20-21H2,1-3H3;2-6,15-17,22-23,28-29H,7-14H2,1H3/t;;22-,23+
• InChIKey: NELLNLROAZFISA-SOPCTEKVSA-N
• XLogP: 20.45
• TPSA: 142.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1820.64
LogP ≤ 5	20.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?

The IUPAC name of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (CID 159757487) is N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.

What is the SMILES notation for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?

The canonical SMILES for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is CC(C)(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(C2(CCC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.C[C@@H]1CN(CCNC2CCN(c3cccc(C4=Cc5ccccc5C4)c3)CC2)C[C@H](C)N1C.

What is the InChIKey of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?

The InChIKey is NELLNLROAZFISA-SOPCTEKVSA-N. The full InChI is InChI=1S/C32H43FN4.C29H41N5.C29H40N4.C26H31N5/c1-24(2)35-17-19-37(20-18-35)32(12-4-13-32)14-9-25-10-15-36(16-11-25)29-6-3-5-26(22-29)31-23-27-21-28(33)7-8-30(27)34-31;1-29(2,3)34-19-17-32(18-20-34)16-13-30-25-11-14-33(15-12-25)26-9-6-8-23(21-26)28-22-24-7-4-5-10-27(24)31-28;1-22-20-32(21-23(2)31(22)3)16-13-30-28-11-14-33(15-12-28)29-10-6-9-26(19-29)27-17-24-7-4-5-8-25(24)18-27;1-30-11-7-22(8-12-30)28-23-9-13-31(14-10-23)24-4-2-3-20(16-24)26-17-21-15-19(18-27)5-6-25(21)29-26/h3,5-8,21-25,34H,4,9-20H2,1-2H3;4-10,21-22,25,30-31H,11-20H2,1-3H3;4-10,17,19,22-23,28,30H,11-16,18,20-21H2,1-3H3;2-6,15-17,22-23,28-29H,7-14H2,1H3/t;;22-,23+;.

What are the key properties of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?

N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile has a molecular weight of 1820.64 g/mol, XLogP of 20.45, 23 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;5-fluoro-2-[3-[4-[2-[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethyl]piperidin-4-amine;2-[3-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 159757487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).