5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide

C25H30N4O3 — CID 176732182

IUPAC5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C25H30N4O3/c1-31-19-9-10-22-20(17-19)21(18-27-22)25(30)26-11-5-6-12-28-13-15-29(16-14-28)23-7-3-4-8-24(23)32-2/h3-10,17-18,27H,11-16H2,1-2H3,(H,26,30)
InChIKeyYYUNYJZUIDSHML-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.29
Rot. Bonds8

About 5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide

5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide (PubChem CID 176732182) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide
PubChem CID176732182
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C25H30N4O3/c1-31-19-9-10-22-20(17-19)21(18-27-22)25(30)26-11-5-6-12-28-13-15-29(16-14-28)23-7-3-4-8-24(23)32-2/h3-10,17-18,27H,11-16H2,1-2H3,(H,26,30)
InChIKeyYYUNYJZUIDSHML-UHFFFAOYSA-N
XLogP3.29
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-[(2-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205982
4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide
CID 51354279
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
(2R)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetic acid
CID 29131719
1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 113208075
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
N-(2-ethoxyphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206077
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
N-(2-methoxyethyl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42756008
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide (CID 176732182) is 5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide is COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2c1.
What is the InChIKey of 5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide?
The InChIKey is YYUNYJZUIDSHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-31-19-9-10-22-20(17-19)21(18-27-22)25(30)26-11-5-6-12-28-13-15-29(16-14-28)23-7-3-4-8-24(23)32-2/h3-10,17-18,27H,11-16H2,1-2H3,(H,26,30).
What are the key properties of 5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide?
5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 176732182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).