1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile

C80H97ClN12O7 — CID 157139686

IUPAC1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile
SMILESCC(=O)c1cn(CC(C)CN2CCC(O)(Cc3ccccc3)CC2)c2ccccc12.COc1cccc2c(C#N)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C29H39ClN4O3.C26H32N2O2.C25H26N6O2/c1-22(2)20-31-29(35)26-21-34(28-25(26)6-4-7-27(28)36-3)13-5-12-32-14-16-33(17-15-32)18-19-37-24-10-8-23(30)9-11-24;1-20(18-28-19-24(21(2)29)23-10-6-7-11-25(23)28)17-27-14-12-26(30,13-15-27)16-22-8-4-3-5-9-22;1-32-22-5-2-4-21-20(16-26)17-31(23(21)22)13-3-12-30-14-8-19(9-15-30)25-28-24(29-33-25)18-6-10-27-11-7-18/h4,6-11,21-22H,5,12-20H2,1-3H3,(H,31,35);3-11,19-20,30H,12-18H2,1-2H3;2,4-7,10-11,17,19H,3,8-9,12-15H2,1H3
InChIKeyAKAXJLWTDJZLIJ-UHFFFAOYSA-N
MW1374.19 g/mol
LogP13.56
Rot. Bonds26

About 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile

1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile (PubChem CID 157139686) has the molecular formula C80H97ClN12O7 and a molecular weight of 1374.19 g/mol. Its IUPAC name is 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile
PubChem CID157139686
Molecular FormulaC80H97ClN12O7
Molecular Weight1374.19 g/mol
Exact Mass1372.73
IUPAC Name1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile
SMILESCC(=O)c1cn(CC(C)CN2CCC(O)(Cc3ccccc3)CC2)c2ccccc12.COc1cccc2c(C#N)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C29H39ClN4O3.C26H32N2O2.C25H26N6O2/c1-22(2)20-31-29(35)26-21-34(28-25(26)6-4-7-27(28)36-3)13-5-12-32-14-16-33(17-15-32)18-19-37-24-10-8-23(30)9-11-24;1-20(18-28-19-24(21(2)29)23-10-6-7-11-25(23)28)17-27-14-12-26(30,13-15-27)16-22-8-4-3-5-9-22;1-32-22-5-2-4-21-20(16-26)17-31(23(21)22)13-3-12-30-14-8-19(9-15-30)25-28-24(29-33-25)18-6-10-27-11-7-18/h4,6-11,21-22H,5,12-20H2,1-3H3,(H,31,35);3-11,19-20,30H,12-18H2,1-2H3;2,4-7,10-11,17,19H,3,8-9,12-15H2,1H3
InChIKeyAKAXJLWTDJZLIJ-UHFFFAOYSA-N
XLogP13.56
TPSA197.44 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001374.19
LogP ≤ 513.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile?
The IUPAC name of 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile (CID 157139686) is 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile.
What is the SMILES notation for 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile?
The canonical SMILES for 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile is CC(=O)c1cn(CC(C)CN2CCC(O)(Cc3ccccc3)CC2)c2ccccc12.COc1cccc2c(C#N)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.
What is the InChIKey of 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile?
The InChIKey is AKAXJLWTDJZLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39ClN4O3.C26H32N2O2.C25H26N6O2/c1-22(2)20-31-29(35)26-21-34(28-25(26)6-4-7-27(28)36-3)13-5-12-32-14-16-33(17-15-32)18-19-37-24-10-8-23(30)9-11-24;1-20(18-28-19-24(21(2)29)23-10-6-7-11-25(23)28)17-27-14-12-26(30,13-15-27)16-22-8-4-3-5-9-22;1-32-22-5-2-4-21-20(16-26)17-31(23(21)22)13-3-12-30-14-8-19(9-15-30)25-28-24(29-33-25)18-6-10-27-11-7-18/h4,6-11,21-22H,5,12-20H2,1-3H3,(H,31,35);3-11,19-20,30H,12-18H2,1-2H3;2,4-7,10-11,17,19H,3,8-9,12-15H2,1H3.
What are the key properties of 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile?
1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile has a molecular weight of 1374.19 g/mol, XLogP of 13.56, 26 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carbonitrile is sourced from PubChem (CID 157139686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).