2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide

C31H36N4O4 — CID 46102324

IUPAC2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide
SMILESCOc1ccc(N2CCN(CCc3c[nH]c4ccc(NC(=O)Cc5cc(OC)ccc5OC)cc34)CC2)cc1
InChIInChI=1S/C31H36N4O4/c1-37-26-7-5-25(6-8-26)35-16-14-34(15-17-35)13-12-22-21-32-29-10-4-24(20-28(22)29)33-31(36)19-23-18-27(38-2)9-11-30(23)39-3/h4-11,18,20-21,32H,12-17,19H2,1-3H3,(H,33,36)
InChIKeyIPADLCXTTBOBDE-UHFFFAOYSA-N
MW528.65 g/mol
LogP4.74
Rot. Bonds10

About 2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide

2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide (PubChem CID 46102324) has the molecular formula C31H36N4O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide
PubChem CID46102324
Molecular FormulaC31H36N4O4
Molecular Weight528.65 g/mol
Exact Mass528.27
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide
SMILESCOc1ccc(N2CCN(CCc3c[nH]c4ccc(NC(=O)Cc5cc(OC)ccc5OC)cc34)CC2)cc1
InChIInChI=1S/C31H36N4O4/c1-37-26-7-5-25(6-8-26)35-16-14-34(15-17-35)13-12-22-21-32-29-10-4-24(20-28(22)29)33-31(36)19-23-18-27(38-2)9-11-30(23)39-3/h4-11,18,20-21,32H,12-17,19H2,1-3H3,(H,33,36)
InChIKeyIPADLCXTTBOBDE-UHFFFAOYSA-N
XLogP4.74
TPSA79.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.65
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide
CID 46102326
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 78807074
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936429
2-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 78869416
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-amine
CID 19936462
4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole
CID 19438866
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
1-[4-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one
CID 118190841
3-[2-[4-[4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 118191017

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide (CID 46102324) is 2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide is COc1ccc(N2CCN(CCc3c[nH]c4ccc(NC(=O)Cc5cc(OC)ccc5OC)cc34)CC2)cc1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide?
The InChIKey is IPADLCXTTBOBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O4/c1-37-26-7-5-25(6-8-26)35-16-14-34(15-17-35)13-12-22-21-32-29-10-4-24(20-28(22)29)33-31(36)19-23-18-27(38-2)9-11-30(23)39-3/h4-11,18,20-21,32H,12-17,19H2,1-3H3,(H,33,36).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide?
2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide has a molecular weight of 528.65 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide is sourced from PubChem (CID 46102324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).