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

C23H24N4O2 — CID 10407968

IUPAC3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCN3CCN(c4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C23H24N4O2/c24-15-17-4-5-20-19(14-17)18(16-25-20)6-7-26-8-10-27(11-9-26)21-2-1-3-22-23(21)29-13-12-28-22/h1-5,14,16,25H,6-13H2
InChIKeyMWYCODIZJIFAFB-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.18
Rot. Bonds4

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

3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile (PubChem CID 10407968) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
PubChem CID10407968
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCN3CCN(c4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C23H24N4O2/c24-15-17-4-5-20-19(14-17)18(16-25-20)6-7-26-8-10-27(11-9-26)21-2-1-3-22-23(21)29-13-12-28-22/h1-5,14,16,25H,6-13H2
InChIKeyMWYCODIZJIFAFB-UHFFFAOYSA-N
XLogP3.18
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-1H-indole;oxalic acid
CID 22725288
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 19438845
3-[4-[4-(2,4-dihydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 57229461
3-[2-[4-[4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 118191017
5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 58656079
3-(3-chloropropyl)-1H-indole-6-carbonitrile;3-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-1H-indole-6-carbonitrile
CID 67856496
2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol
CID 10683038
2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanethiol
CID 125482847

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-5-carbonitrile?
The IUPAC name of 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile (CID 10407968) is 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CCN3CCN(c4cccc5c4OCCO5)CC3)c2c1.
What is the InChIKey of 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile?
The InChIKey is MWYCODIZJIFAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c24-15-17-4-5-20-19(14-17)18(16-25-20)6-7-26-8-10-27(11-9-26)21-2-1-3-22-23(21)29-13-12-28-22/h1-5,14,16,25H,6-13H2.
What are the key properties of 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile?
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile has a molecular weight of 388.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-5-carbonitrile is sourced from PubChem (CID 10407968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).