4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole

C20H26N4O — CID 91385388

IUPAC4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole
SMILESCC1=CC(OCCN2CCN(c3cccc4[nH]ccc34)CC2)N=CC1
InChIInChI=1S/C20H26N4O/c1-16-5-7-22-20(15-16)25-14-13-23-9-11-24(12-10-23)19-4-2-3-18-17(19)6-8-21-18/h2-4,6-8,15,20-21H,5,9-14H2,1H3
InChIKeyVYMUJDXQVUWBMJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.05
Rot. Bonds5

About 4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole

4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole (PubChem CID 91385388) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole
PubChem CID91385388
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole
SMILESCC1=CC(OCCN2CCN(c3cccc4[nH]ccc34)CC2)N=CC1
InChIInChI=1S/C20H26N4O/c1-16-5-7-22-20(15-16)25-14-13-23-9-11-24(12-10-23)19-4-2-3-18-17(19)6-8-21-18/h2-4,6-8,15,20-21H,5,9-14H2,1H3
InChIKeyVYMUJDXQVUWBMJ-UHFFFAOYSA-N
XLogP3.05
TPSA43.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole with MolForge

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Related Compounds

4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole
CID 10110269
4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole
CID 10156458
4-[4-[4-(2,6-dimethylphenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10200617
4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091638
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 19694155
4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091655
2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 172837364
3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 10109963
N-(cyclohexanecarbonyl)-N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]cyclohexanecarboxamide;dihydrochloride
CID 70123294
4-[4-[4-(3-chlorophenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10111569
1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 139990891

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole (CID 91385388) is 4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole is CC1=CC(OCCN2CCN(c3cccc4[nH]ccc34)CC2)N=CC1.
What is the InChIKey of 4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole?
The InChIKey is VYMUJDXQVUWBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-5-7-22-20(15-16)25-14-13-23-9-11-24(12-10-23)19-4-2-3-18-17(19)6-8-21-18/h2-4,6-8,15,20-21H,5,9-14H2,1H3.
What are the key properties of 4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole?
4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole has a molecular weight of 338.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 91385388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).