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

C116H148N18O3S — CID 161391221

IUPACN-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
SMILESCC(C)C1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(CC2CCN(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.CN1CCC(NC2CCN(c3cncc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C35H44N4O2S.C29H36N4.C28H37N5O.C24H31N5/c1-26(2)38-17-13-27(14-18-38)21-28-15-19-39(20-16-28)32-10-6-9-30(22-32)35-24-31-23-33(11-12-34(31)37-35)42(40,41)36-25-29-7-4-3-5-8-29;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;1-28-10-6-20(7-11-28)26-21-8-12-29(13-9-21)22-14-19(16-25-17-22)24-15-18-4-2-3-5-23(18)27-24/h3-12,22-24,26-28,36-37H,13-21,25H2,1-2H3;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);2-5,14-17,20-21,26-27H,6-13H2,1H3
InChIKeyVSZZFBYTPYMEPQ-UHFFFAOYSA-N
MW1874.65 g/mol
LogP21.35
Rot. Bonds24

About 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

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 (PubChem CID 161391221) has the molecular formula C116H148N18O3S and a molecular weight of 1874.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID161391221
Molecular FormulaC116H148N18O3S
Molecular Weight1874.65 g/mol
Exact Mass1873.17
IUPAC NameN-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
SMILESCC(C)C1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(CC2CCN(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.CN1CCC(NC2CCN(c3cncc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C35H44N4O2S.C29H36N4.C28H37N5O.C24H31N5/c1-26(2)38-17-13-27(14-18-38)21-28-15-19-39(20-16-28)32-10-6-9-30(22-32)35-24-31-23-33(11-12-34(31)37-35)42(40,41)36-25-29-7-4-3-5-8-29;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;1-28-10-6-20(7-11-28)26-21-8-12-29(13-9-21)22-14-19(16-25-17-22)24-15-18-4-2-3-5-23(18)27-24/h3-12,22-24,26-28,36-37H,13-21,25H2,1-2H3;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);2-5,14-17,20-21,26-27H,6-13H2,1H3
InChIKeyVSZZFBYTPYMEPQ-UHFFFAOYSA-N
XLogP21.35
TPSA225.09 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001874.65
LogP ≤ 521.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze 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 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
3-(1-acetylpiperidin-4-yl)-1H-indole-5-carbonitrile;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159121753
1-acetyl-4-(1H-indol-3-yl)piperazine-2-carbonitrile;6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one;4-(2-oxo-1,3-dihydroindol-3-yl)piperazine-1-sulfonamide
CID 160496855
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
3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone
CID 159077640
3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole
CID 159284993
4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 159768987
5-(2-benzylpiperazin-1-yl)-1H-indole-3-carbonitrile;tert-butyl 4-[1-(benzenesulfonyl)-3-cyanoindol-5-yl]-3-benzylpiperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-3-iodoindol-5-yl]-3-benzylpiperazine-1-carboxylate;tert-butyl 3-benzyl-4-(3-cyano-1H-indol-5-yl)piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate
CID 160749018
4-[4-(benzenesulfonyl)piperazin-1-yl]-1H-indole;4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperidin-1-yl]ethanone;4-(4-propylsulfonylpiperazin-1-yl)-1H-indole
CID 161529875
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[3-(dimethylamino)propyl]-N-[1-(2-phenylethyl)piperidin-4-yl]indol-5-amine;N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 161763516
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(CC2CCN(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.CN1CCC(NC2CCN(c3cncc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of 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?
The InChIKey is VSZZFBYTPYMEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N4O2S.C29H36N4.C28H37N5O.C24H31N5/c1-26(2)38-17-13-27(14-18-38)21-28-15-19-39(20-16-28)32-10-6-9-30(22-32)35-24-31-23-33(11-12-34(31)37-35)42(40,41)36-25-29-7-4-3-5-8-29;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;1-28-10-6-20(7-11-28)26-21-8-12-29(13-9-21)22-14-19(16-25-17-22)24-15-18-4-2-3-5-23(18)27-24/h3-12,22-24,26-28,36-37H,13-21,25H2,1-2H3;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);2-5,14-17,20-21,26-27H,6-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1874.65 g/mol, XLogP of 21.35, 24 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161391221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).