2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine

C86H114F3N15 — CID 158252470

IUPAC2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(C(F)(F)F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc(C#N)cc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C29H38F3N5.C29H38N6.C28H38N4/c1-21(2)36-16-14-35(15-17-36)13-10-33-25-8-11-37(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29(30,31)32)6-7-27(23)34-28;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)29-20-25-7-6-23(21-30)18-28(25)32-29;1-22(2)31-18-16-30(17-19-31)13-10-23-11-14-32(15-12-23)26-8-5-7-24(20-26)28-21-25-6-3-4-9-27(25)29-28/h3-7,18-21,25,33-34H,8-17H2,1-2H3;3-7,18-20,22,26,31-32H,8-17H2,1-2H3;3-9,20-23,29H,10-19H2,1-2H3
InChIKeyGGWQERBQXLBCSB-UHFFFAOYSA-N
MW1414.96 g/mol
LogP15.20
Rot. Bonds20

About 2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine

2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine (PubChem CID 158252470) has the molecular formula C86H114F3N15 and a molecular weight of 1414.96 g/mol. Its IUPAC name is 2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine.

Molecular Properties

Compound Name2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine
PubChem CID158252470
Molecular FormulaC86H114F3N15
Molecular Weight1414.96 g/mol
Exact Mass1413.93
IUPAC Name2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(C(F)(F)F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc(C#N)cc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C29H38F3N5.C29H38N6.C28H38N4/c1-21(2)36-16-14-35(15-17-36)13-10-33-25-8-11-37(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29(30,31)32)6-7-27(23)34-28;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)29-20-25-7-6-23(21-30)18-28(25)32-29;1-22(2)31-18-16-30(17-19-31)13-10-23-11-14-32(15-12-23)26-8-5-7-24(20-26)28-21-25-6-3-4-9-27(25)29-28/h3-7,18-21,25,33-34H,8-17H2,1-2H3;3-7,18-20,22,26,31-32H,8-17H2,1-2H3;3-9,20-23,29H,10-19H2,1-2H3
InChIKeyGGWQERBQXLBCSB-UHFFFAOYSA-N
XLogP15.20
TPSA124.38 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001414.96
LogP ≤ 515.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine with MolForge

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Related Compounds

2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 132570329
US11247985, Table 3.112
CID 140939164
4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline
CID 126544173
3-[3,6-Bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381527
5-[2,7-Bis(6-phenylpyridin-2-yl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenylpyridin-2-yl)-6-[(6-phenylpyridin-2-yl)methyl]carbazol-9-yl]benzonitrile
CID 137381835
2,5-Bis[3,6-bis(6-phenylpyridin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382087
2,6-Bis[3,6-bis(6-phenylpyridin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382185
5-[3,6-Bis(6-phenylpyridin-2-yl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenylpyridin-3-yl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenylpyridin-3-yl]-6-phenylpyridin-2-yl]-6-(6-phenylpyridin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386386
5-[3-[4-[6-[9-[2-[2,7-Bis(6-phenylpyridin-2-yl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenylpyridin-2-yl)carbazol-2-yl]-2-phenylpyridin-3-yl]-6-phenylpyridin-2-yl]carbazol-9-yl]-4-[3-(6-phenylpyridin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386388
3,5-Bis[3,6-bis(6-phenylpyridin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 137386443
3-[2,5-Bis[3,6-bis(6-phenylpyridin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 142466005
3,5-Bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 145756573

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine?
The IUPAC name of 2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine (CID 158252470) is 2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine.
What is the SMILES notation for 2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine?
The canonical SMILES for 2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine is CC(C)N1CCN(CCC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(C(F)(F)F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc(C#N)cc5[nH]4)c3)CC2)CC1.
What is the InChIKey of 2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine?
The InChIKey is GGWQERBQXLBCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F3N5.C29H38N6.C28H38N4/c1-21(2)36-16-14-35(15-17-36)13-10-33-25-8-11-37(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29(30,31)32)6-7-27(23)34-28;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)29-20-25-7-6-23(21-30)18-28(25)32-29;1-22(2)31-18-16-30(17-19-31)13-10-23-11-14-32(15-12-23)26-8-5-7-24(20-26)28-21-25-6-3-4-9-27(25)29-28/h3-7,18-21,25,33-34H,8-17H2,1-2H3;3-7,18-20,22,26,31-32H,8-17H2,1-2H3;3-9,20-23,29H,10-19H2,1-2H3.
What are the key properties of 2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine?
2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine has a molecular weight of 1414.96 g/mol, XLogP of 15.20, 20 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine is sourced from PubChem (CID 158252470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).