1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone

C92H122N10O8 — CID 159962666

IUPAC1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CC(C)CN2CCN(C(C)c3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CC(O)CN2CCN(C(C)c3ccccc3)CC2)c2ccccc12.CCCOC1CCN(CC(O)Cn2cc(C(C)=O)c3ccccc32)CC1.CCCOC1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C26H33N3O.C25H31N3O2.C21H30N2O3.C20H28N2O2/c1-20(18-29-19-25(22(3)30)24-11-7-8-12-26(24)29)17-27-13-15-28(16-14-27)21(2)23-9-5-4-6-10-23;1-19(21-8-4-3-5-9-21)27-14-12-26(13-15-27)16-22(30)17-28-18-24(20(2)29)23-10-6-7-11-25(23)28;1-3-12-26-18-8-10-22(11-9-18)13-17(25)14-23-15-20(16(2)24)19-6-4-5-7-21(19)23;1-3-14-24-17-8-10-21(11-9-17)12-13-22-15-19(16(2)23)18-6-4-5-7-20(18)22/h4-12,19-21H,13-18H2,1-3H3;3-11,18-19,22,30H,12-17H2,1-2H3;4-7,15,17-18,25H,3,8-14H2,1-2H3;4-7,15,17H,3,8-14H2,1-2H3
InChIKeyODNMFVZXIZUGON-UHFFFAOYSA-N
MW1496.05 g/mol
LogP15.27
Rot. Bonds29

About 1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone

1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone (PubChem CID 159962666) has the molecular formula C92H122N10O8 and a molecular weight of 1496.05 g/mol. Its IUPAC name is 1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone
PubChem CID159962666
Molecular FormulaC92H122N10O8
Molecular Weight1496.05 g/mol
Exact Mass1494.94
IUPAC Name1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CC(C)CN2CCN(C(C)c3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CC(O)CN2CCN(C(C)c3ccccc3)CC2)c2ccccc12.CCCOC1CCN(CC(O)Cn2cc(C(C)=O)c3ccccc32)CC1.CCCOC1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C26H33N3O.C25H31N3O2.C21H30N2O3.C20H28N2O2/c1-20(18-29-19-25(22(3)30)24-11-7-8-12-26(24)29)17-27-13-15-28(16-14-27)21(2)23-9-5-4-6-10-23;1-19(21-8-4-3-5-9-21)27-14-12-26(13-15-27)16-22(30)17-28-18-24(20(2)29)23-10-6-7-11-25(23)28;1-3-12-26-18-8-10-22(11-9-18)13-17(25)14-23-15-20(16(2)24)19-6-4-5-7-21(19)23;1-3-14-24-17-8-10-21(11-9-17)12-13-22-15-19(16(2)23)18-6-4-5-7-20(18)22/h4-12,19-21H,13-18H2,1-3H3;3-11,18-19,22,30H,12-17H2,1-2H3;4-7,15,17-18,25H,3,8-14H2,1-2H3;4-7,15,17H,3,8-14H2,1-2H3
InChIKeyODNMFVZXIZUGON-UHFFFAOYSA-N
XLogP15.27
TPSA166.36 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001496.05
LogP ≤ 515.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone 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-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone (CID 159962666) is 1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone is CC(=O)c1cn(CC(C)CN2CCN(C(C)c3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CC(O)CN2CCN(C(C)c3ccccc3)CC2)c2ccccc12.CCCOC1CCN(CC(O)Cn2cc(C(C)=O)c3ccccc32)CC1.CCCOC1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1.
What is the InChIKey of 1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone?
The InChIKey is ODNMFVZXIZUGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O.C25H31N3O2.C21H30N2O3.C20H28N2O2/c1-20(18-29-19-25(22(3)30)24-11-7-8-12-26(24)29)17-27-13-15-28(16-14-27)21(2)23-9-5-4-6-10-23;1-19(21-8-4-3-5-9-21)27-14-12-26(13-15-27)16-22(30)17-28-18-24(20(2)29)23-10-6-7-11-25(23)28;1-3-12-26-18-8-10-22(11-9-18)13-17(25)14-23-15-20(16(2)24)19-6-4-5-7-21(19)23;1-3-14-24-17-8-10-21(11-9-17)12-13-22-15-19(16(2)23)18-6-4-5-7-20(18)22/h4-12,19-21H,13-18H2,1-3H3;3-11,18-19,22,30H,12-17H2,1-2H3;4-7,15,17-18,25H,3,8-14H2,1-2H3;4-7,15,17H,3,8-14H2,1-2H3.
What are the key properties of 1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone?
1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone has a molecular weight of 1496.05 g/mol, XLogP of 15.27, 29 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-hydroxy-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone is sourced from PubChem (CID 159962666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).