N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile

C120H154N20O3S — CID 165032748

IUPACN-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile
SMILESCC(C)C1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(S(=O)(=O)NCc6ccccc6)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CC(=O)NC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc(C#N)cc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C34H43N5O2S.C29H38N6.C29H36N4.C28H37N5O/c1-25(2)38-17-13-29(14-18-38)36-30-15-19-39(20-16-30)31-10-6-9-27(21-31)34-23-28-22-32(11-12-33(28)37-34)42(40,41)35-24-26-7-4-3-5-8-26;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)29-20-25-7-6-23(21-30)18-28(25)32-29;1-20(2)22-7-9-25(10-8-22)31-26-12-14-33(15-13-26)27-5-3-4-23(17-27)29-18-24-16-21(19-30)6-11-28(24)32-29;1-21(2)32-16-14-31(15-17-32)20-28(34)29-24-10-12-33(13-11-24)25-8-5-7-22(18-25)27-19-23-6-3-4-9-26(23)30-27/h3-12,21-23,25,29-30,35-37H,13-20,24H2,1-2H3;3-7,18-20,22,26,31-32H,8-17H2,1-2H3;3-6,11,16-18,20,22,25-26,31-32H,7-10,12-15H2,1-2H3;3-9,18-19,21,24,30H,10-17,20H2,1-2H3,(H,29,34)
InChIKeyMXMCDJHMZMFHNS-UHFFFAOYSA-N
MW1956.76 g/mol
LogP20.46
Rot. Bonds27

About N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile

N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile (PubChem CID 165032748) has the molecular formula C120H154N20O3S and a molecular weight of 1956.76 g/mol. Its IUPAC name is N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile.

Molecular Properties

Compound NameN-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile
PubChem CID165032748
Molecular FormulaC120H154N20O3S
Molecular Weight1956.76 g/mol
Exact Mass1955.22
IUPAC NameN-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile
SMILESCC(C)C1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(S(=O)(=O)NCc6ccccc6)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CC(=O)NC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc(C#N)cc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C34H43N5O2S.C29H38N6.C29H36N4.C28H37N5O/c1-25(2)38-17-13-29(14-18-38)36-30-15-19-39(20-16-30)31-10-6-9-27(21-31)34-23-28-22-32(11-12-33(28)37-34)42(40,41)35-24-26-7-4-3-5-8-26;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)29-20-25-7-6-23(21-30)18-28(25)32-29;1-20(2)22-7-9-25(10-8-22)31-26-12-14-33(15-13-26)27-5-3-4-23(17-27)29-18-24-16-21(19-30)6-11-28(24)32-29;1-21(2)32-16-14-31(15-17-32)20-28(34)29-24-10-12-33(13-11-24)25-8-5-7-22(18-25)27-19-23-6-3-4-9-26(23)30-27/h3-12,21-23,25,29-30,35-37H,13-20,24H2,1-2H3;3-7,18-20,22,26,31-32H,8-17H2,1-2H3;3-6,11,16-18,20,22,25-26,31-32H,7-10,12-15H2,1-2H3;3-9,18-19,21,24,30H,10-17,20H2,1-2H3,(H,29,34)
InChIKeyMXMCDJHMZMFHNS-UHFFFAOYSA-N
XLogP20.46
TPSA251.26 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001956.76
LogP ≤ 520.46
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile with MolForge

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Related Compounds

1-[3-(5-amino-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indene-5-sulfonamide;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 158285354
2-[[3-[4-[1-[4-[[2-(3-fluoro-N-methylanilino)-2-oxoethyl]-methylsulfamoyl]-2-(6-methyl-1H-indol-2-yl)phenyl]pyrrolidin-3-yl]-6-methyl-1H-indol-2-yl]-4-pyrrolidin-1-ylphenyl]sulfonyl-methylamino]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 168940498
1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 160628590
N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;N-[1-[5-(1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]-1-methylpiperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 161391221
2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 164976510
N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 165104862
N-methyl-3-[6-methyl-4-[1-[2-(6-methyl-1H-indol-2-yl)-4-[methyl-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-2-oxoethyl]sulfamoyl]phenyl]pyrrolidin-3-yl]-1H-indol-2-yl]-N-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-2-oxoethyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 169949863

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile?
The IUPAC name of N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile (CID 165032748) is N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile.
What is the SMILES notation for N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile?
The canonical SMILES for N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile is CC(C)C1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(S(=O)(=O)NCc6ccccc6)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CC(=O)NC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc(C#N)cc5[nH]4)c3)CC2)CC1.
What is the InChIKey of N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile?
The InChIKey is MXMCDJHMZMFHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O2S.C29H38N6.C29H36N4.C28H37N5O/c1-25(2)38-17-13-29(14-18-38)36-30-15-19-39(20-16-30)31-10-6-9-27(21-31)34-23-28-22-32(11-12-33(28)37-34)42(40,41)35-24-26-7-4-3-5-8-26;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)29-20-25-7-6-23(21-30)18-28(25)32-29;1-20(2)22-7-9-25(10-8-22)31-26-12-14-33(15-13-26)27-5-3-4-23(17-27)29-18-24-16-21(19-30)6-11-28(24)32-29;1-21(2)32-16-14-31(15-17-32)20-28(34)29-24-10-12-33(13-11-24)25-8-5-7-22(18-25)27-19-23-6-3-4-9-26(23)30-27/h3-12,21-23,25,29-30,35-37H,13-20,24H2,1-2H3;3-7,18-20,22,26,31-32H,8-17H2,1-2H3;3-6,11,16-18,20,22,25-26,31-32H,7-10,12-15H2,1-2H3;3-9,18-19,21,24,30H,10-17,20H2,1-2H3,(H,29,34).
What are the key properties of N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile?
N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile has a molecular weight of 1956.76 g/mol, XLogP of 20.46, 27 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-sulfonamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile is sourced from PubChem (CID 165032748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).