1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone

C96H103N13O9 — CID 159125291

IUPAC1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
SMILESCOc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12
InChIInChI=1S/2C32H33N5O3.C32H37N3O3/c1-39-29-12-5-11-26-27(28(38)20-23-8-3-2-4-9-23)22-37(30(26)29)17-7-16-36-18-13-24(14-19-36)32-34-31(35-40-32)25-10-6-15-33-21-25;1-39-29-10-5-9-26-27(28(38)21-23-7-3-2-4-8-23)22-37(30(26)29)18-6-17-36-19-13-25(14-20-36)32-34-31(35-40-32)24-11-15-33-16-12-24;1-37-31-15-8-14-28-29(30(36)24-26-10-4-2-5-11-26)25-35(32(28)31)17-9-16-33-18-20-34(21-19-33)22-23-38-27-12-6-3-7-13-27/h2-6,8-12,15,21-22,24H,7,13-14,16-20H2,1H3;2-5,7-12,15-16,22,25H,6,13-14,17-21H2,1H3;2-8,10-15,25H,9,16-24H2,1H3
InChIKeyKGEUEXSYOSVDIB-UHFFFAOYSA-N
MW1582.96 g/mol
LogP16.74
Rot. Bonds32

About 1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone

1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone (PubChem CID 159125291) has the molecular formula C96H103N13O9 and a molecular weight of 1582.96 g/mol. Its IUPAC name is 1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
PubChem CID159125291
Molecular FormulaC96H103N13O9
Molecular Weight1582.96 g/mol
Exact Mass1581.80
IUPAC Name1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
SMILESCOc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12
InChIInChI=1S/2C32H33N5O3.C32H37N3O3/c1-39-29-12-5-11-26-27(28(38)20-23-8-3-2-4-9-23)22-37(30(26)29)17-7-16-36-18-13-24(14-19-36)32-34-31(35-40-32)25-10-6-15-33-21-25;1-39-29-10-5-9-26-27(28(38)21-23-7-3-2-4-8-23)22-37(30(26)29)18-6-17-36-19-13-25(14-20-36)32-34-31(35-40-32)24-11-15-33-16-12-24;1-37-31-15-8-14-28-29(30(36)24-26-10-4-2-5-11-26)25-35(32(28)31)17-9-16-33-18-20-34(21-19-33)22-23-38-27-12-6-3-7-13-27/h2-6,8-12,15,21-22,24H,7,13-14,16-20H2,1H3;2-5,7-12,15-16,22,25H,6,13-14,17-21H2,1H3;2-8,10-15,25H,9,16-24H2,1H3
InChIKeyKGEUEXSYOSVDIB-UHFFFAOYSA-N
XLogP16.74
TPSA219.50 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001582.96
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
The IUPAC name of 1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone (CID 159125291) is 1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone is COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12.
What is the InChIKey of 1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
The InChIKey is KGEUEXSYOSVDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H33N5O3.C32H37N3O3/c1-39-29-12-5-11-26-27(28(38)20-23-8-3-2-4-9-23)22-37(30(26)29)17-7-16-36-18-13-24(14-19-36)32-34-31(35-40-32)25-10-6-15-33-21-25;1-39-29-10-5-9-26-27(28(38)21-23-7-3-2-4-8-23)22-37(30(26)29)18-6-17-36-19-13-25(14-20-36)32-34-31(35-40-32)24-11-15-33-16-12-24;1-37-31-15-8-14-28-29(30(36)24-26-10-4-2-5-11-26)25-35(32(28)31)17-9-16-33-18-20-34(21-19-33)22-23-38-27-12-6-3-7-13-27/h2-6,8-12,15,21-22,24H,7,13-14,16-20H2,1H3;2-5,7-12,15-16,22,25H,6,13-14,17-21H2,1H3;2-8,10-15,25H,9,16-24H2,1H3.
What are the key properties of 1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone?
1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone has a molecular weight of 1582.96 g/mol, XLogP of 16.74, 32 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone;1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone is sourced from PubChem (CID 159125291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).