3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole

C22H25N3O2 — CID 11610248

IUPAC3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole
SMILESc1cc2c(c(N3CCN(CCc4c[nH]c5ccccc45)CC3)c1)OCCO2
InChIInChI=1S/C22H25N3O2/c1-2-5-19-18(4-1)17(16-23-19)8-9-24-10-12-25(13-11-24)20-6-3-7-21-22(20)27-15-14-26-21/h1-7,16,23H,8-15H2
InChIKeyJKXNHYROCOIFSB-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.30
Rot. Bonds4

About 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole

3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole (PubChem CID 11610248) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole
PubChem CID11610248
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole
SMILESc1cc2c(c(N3CCN(CCc4c[nH]c5ccccc45)CC3)c1)OCCO2
InChIInChI=1S/C22H25N3O2/c1-2-5-19-18(4-1)17(16-23-19)8-9-24-10-12-25(13-11-24)20-6-3-7-21-22(20)27-15-14-26-21/h1-7,16,23H,8-15H2
InChIKeyJKXNHYROCOIFSB-UHFFFAOYSA-N
XLogP3.30
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole with MolForge

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Related Compounds

Carvedilol
CID 2585
1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-((5-(4-fluorophenyl)-3-pyridinyl)methyl)piperazine
CID 9887537
(-)-Carvedilol
CID 185395
Adoprazine hydrochloride
CID 42631781
Carvedilol, (+)-
CID 185394
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
Solypertine
CID 20517
Benzyl-[2-(1H-indol-4-yloxy)-ethyl]-amine
CID 9838216
3-(1H-indol-3-yl)-6,7-dimethoxy-quinoline
CID 9972296
3-[(2R)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10150362
3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(pyridin-4-yl)quinoline
CID 10150682

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole?
The IUPAC name of 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole (CID 11610248) is 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole is c1cc2c(c(N3CCN(CCc4c[nH]c5ccccc45)CC3)c1)OCCO2.
What is the InChIKey of 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole?
The InChIKey is JKXNHYROCOIFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-5-19-18(4-1)17(16-23-19)8-9-24-10-12-25(13-11-24)20-6-3-7-21-22(20)27-15-14-26-21/h1-7,16,23H,8-15H2.
What are the key properties of 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole?
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole has a molecular weight of 363.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole is sourced from PubChem (CID 11610248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).