1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

C116H155F2N21O3 — CID 158448023

IUPAC1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCC(C)N1CCN(C2(CNC3CCN(c4cccc(C5=Cc6cc(F)ccc6C5)c4)CC3)COC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc([N+](=O)[O-])ccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C31H41FN4O.C29H38N6.C28H38FN5.C28H38N6O2/c1-23(2)34-12-14-36(15-13-34)31(21-37-22-31)20-33-29-8-10-35(11-9-29)30-5-3-4-24(19-30)26-16-25-6-7-28(32)18-27(25)17-26;1-22(2)34-16-14-33(15-17-34)13-10-31-26-8-11-35(12-9-26)27-5-3-4-24(19-27)29-20-25-18-23(21-30)6-7-28(25)32-29;1-21(2)33-16-14-32(15-17-33)13-10-30-25-8-11-34(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29)6-7-27(23)31-28;1-21(2)32-16-14-31(15-17-32)13-10-29-24-8-11-33(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(34(35)36)6-7-27(23)30-28/h3-7,17-19,23,29,33H,8-16,20-22H2,1-2H3;3-7,18-20,22,26,31-32H,8-17H2,1-2H3;3-7,18-21,25,30-31H,8-17H2,1-2H3;3-7,18-21,24,29-30H,8-17H2,1-2H3
InChIKeyHDPZGSRCFJTVRB-UHFFFAOYSA-N
MW1929.66 g/mol
LogP17.45
Rot. Bonds29

About 1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (PubChem CID 158448023) has the molecular formula C116H155F2N21O3 and a molecular weight of 1929.66 g/mol. Its IUPAC name is 1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
PubChem CID158448023
Molecular FormulaC116H155F2N21O3
Molecular Weight1929.66 g/mol
Exact Mass1928.26
IUPAC Name1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCC(C)N1CCN(C2(CNC3CCN(c4cccc(C5=Cc6cc(F)ccc6C5)c4)CC3)COC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc([N+](=O)[O-])ccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C31H41FN4O.C29H38N6.C28H38FN5.C28H38N6O2/c1-23(2)34-12-14-36(15-13-34)31(21-37-22-31)20-33-29-8-10-35(11-9-29)30-5-3-4-24(19-30)26-16-25-6-7-28(32)18-27(25)17-26;1-22(2)34-16-14-33(15-17-34)13-10-31-26-8-11-35(12-9-26)27-5-3-4-24(19-27)29-20-25-18-23(21-30)6-7-28(25)32-29;1-21(2)33-16-14-32(15-17-33)13-10-30-25-8-11-34(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29)6-7-27(23)31-28;1-21(2)32-16-14-31(15-17-32)13-10-29-24-8-11-33(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(34(35)36)6-7-27(23)30-28/h3-7,17-19,23,29,33H,8-16,20-22H2,1-2H3;3-7,18-20,22,26,31-32H,8-17H2,1-2H3;3-7,18-21,25,30-31H,8-17H2,1-2H3;3-7,18-21,24,29-30H,8-17H2,1-2H3
InChIKeyHDPZGSRCFJTVRB-UHFFFAOYSA-N
XLogP17.45
TPSA210.53 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001929.66
LogP ≤ 517.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The IUPAC name of 1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (CID 158448023) is 1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is CC(C)N1CCN(C2(CNC3CCN(c4cccc(C5=Cc6cc(F)ccc6C5)c4)CC3)COC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc([N+](=O)[O-])ccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of 1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The InChIKey is HDPZGSRCFJTVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41FN4O.C29H38N6.C28H38FN5.C28H38N6O2/c1-23(2)34-12-14-36(15-13-34)31(21-37-22-31)20-33-29-8-10-35(11-9-29)30-5-3-4-24(19-30)26-16-25-6-7-28(32)18-27(25)17-26;1-22(2)34-16-14-33(15-17-34)13-10-31-26-8-11-35(12-9-26)27-5-3-4-24(19-27)29-20-25-18-23(21-30)6-7-28(25)32-29;1-21(2)33-16-14-32(15-17-33)13-10-30-25-8-11-34(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29)6-7-27(23)31-28;1-21(2)32-16-14-31(15-17-32)13-10-29-24-8-11-33(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(34(35)36)6-7-27(23)30-28/h3-7,17-19,23,29,33H,8-16,20-22H2,1-2H3;3-7,18-20,22,26,31-32H,8-17H2,1-2H3;3-7,18-21,25,30-31H,8-17H2,1-2H3;3-7,18-21,24,29-30H,8-17H2,1-2H3.
What are the key properties of 1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile has a molecular weight of 1929.66 g/mol, XLogP of 17.45, 29 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-1H-inden-2-yl)phenyl]-N-[[3-(4-propan-2-ylpiperazin-1-yl)oxetan-3-yl]methyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 158448023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).