2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone

C48H56N4O6 — CID 70117742

IUPAC2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C2c3cc(OC)c(OC)cc3C(CC(=O)N3CCN(CC=Cc4ccccc4)CC3)C2C(=O)N2CCN(CC=Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C48H56N4O6/c1-55-41-20-19-37(31-42(41)56-2)46-39-33-44(58-4)43(57-3)32-38(39)40(34-45(53)51-27-23-49(24-28-51)21-11-17-35-13-7-5-8-14-35)47(46)48(54)52-29-25-50(26-30-52)22-12-18-36-15-9-6-10-16-36/h5-20,31-33,40,46-47H,21-30,34H2,1-4H3
InChIKeyOCCFACNXJXFBJA-UHFFFAOYSA-N
MW785.00 g/mol
LogP6.67
Rot. Bonds14

About 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone

2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone (PubChem CID 70117742) has the molecular formula C48H56N4O6 and a molecular weight of 785.00 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
PubChem CID70117742
Molecular FormulaC48H56N4O6
Molecular Weight785.00 g/mol
Exact Mass784.42
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C2c3cc(OC)c(OC)cc3C(CC(=O)N3CCN(CC=Cc4ccccc4)CC3)C2C(=O)N2CCN(CC=Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C48H56N4O6/c1-55-41-20-19-37(31-42(41)56-2)46-39-33-44(58-4)43(57-3)32-38(39)40(34-45(53)51-27-23-49(24-28-51)21-11-17-35-13-7-5-8-14-35)47(46)48(54)52-29-25-50(26-30-52)22-12-18-36-15-9-6-10-16-36/h5-20,31-33,40,46-47H,21-30,34H2,1-4H3
InChIKeyOCCFACNXJXFBJA-UHFFFAOYSA-N
XLogP6.67
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone (CID 70117742) is 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone is COc1ccc(C2c3cc(OC)c(OC)cc3C(CC(=O)N3CCN(CC=Cc4ccccc4)CC3)C2C(=O)N2CCN(CC=Cc3ccccc3)CC2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
The InChIKey is OCCFACNXJXFBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H56N4O6/c1-55-41-20-19-37(31-42(41)56-2)46-39-33-44(58-4)43(57-3)32-38(39)40(34-45(53)51-27-23-49(24-28-51)21-11-17-35-13-7-5-8-14-35)47(46)48(54)52-29-25-50(26-30-52)22-12-18-36-15-9-6-10-16-36/h5-20,31-33,40,46-47H,21-30,34H2,1-4H3.
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone has a molecular weight of 785.00 g/mol, XLogP of 6.67, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 70117742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).