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

C22H26ClN3O2 — CID 22725266

IUPAC6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole
SMILESClc1ccc2c(c1)NCC2CCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C22H26ClN3O2/c23-17-4-5-18-16(15-24-19(18)14-17)6-7-25-8-10-26(11-9-25)20-2-1-3-21-22(20)28-13-12-27-21/h1-5,14,16,24H,6-13,15H2
InChIKeyYXLDAOPSVIPFIJ-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.83
Rot. Bonds4

About 6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole

6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole (PubChem CID 22725266) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole
PubChem CID22725266
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole
SMILESClc1ccc2c(c1)NCC2CCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C22H26ClN3O2/c23-17-4-5-18-16(15-24-19(18)14-17)6-7-25-8-10-26(11-9-25)20-2-1-3-21-22(20)28-13-12-27-21/h1-5,14,16,24H,6-13,15H2
InChIKeyYXLDAOPSVIPFIJ-UHFFFAOYSA-N
XLogP3.83
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole with MolForge

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Related Compounds

5-[4-[2-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile
CID 70341138
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1-methyl-2,3-dihydroindole;oxalic acid
CID 22725270
2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanethiol
CID 125482847
2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol
CID 10683038
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(2,4,6-tribromophenoxy)ethyl]piperazine
CID 10120892
5-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile
CID 10158898
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(2,6-dimethylphenyl)sulfanylethyl]piperazine
CID 139958750
N-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 10430183
3,3,5,5-tetradeuterio-1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride
CID 169439716
[3-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]boronic acid
CID 20651358
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine
CID 10451312
4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl-methylamino]-1H-pyridazin-6-one;hydrate;hydrochloride
CID 22339780

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole?
The IUPAC name of 6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole (CID 22725266) is 6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole is Clc1ccc2c(c1)NCC2CCN1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole?
The InChIKey is YXLDAOPSVIPFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c23-17-4-5-18-16(15-24-19(18)14-17)6-7-25-8-10-26(11-9-25)20-2-1-3-21-22(20)28-13-12-27-21/h1-5,14,16,24H,6-13,15H2.
What are the key properties of 6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole?
6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole has a molecular weight of 399.92 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 22725266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).