[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone

C21H21N5O2 — CID 15166395

IUPAC[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCN(CCc2ccc3nonc3c2)CC1
InChIInChI=1S/C21H21N5O2/c27-21(17-2-4-18-16(14-17)5-7-22-18)26-11-9-25(10-12-26)8-6-15-1-3-19-20(13-15)24-28-23-19/h1-5,7,13-14,22H,6,8-12H2
InChIKeyOMAVYBZIVROYPG-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.70
Rot. Bonds4

About [4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone

[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 15166395) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is [4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID15166395
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCN(CCc2ccc3nonc3c2)CC1
InChIInChI=1S/C21H21N5O2/c27-21(17-2-4-18-16(14-17)5-7-22-18)26-11-9-25(10-12-26)8-6-15-1-3-19-20(13-15)24-28-23-19/h1-5,7,13-14,22H,6,8-12H2
InChIKeyOMAVYBZIVROYPG-UHFFFAOYSA-N
XLogP2.70
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone with MolForge

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Related Compounds

1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 71828821
4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazine-1-carboxylic acid
CID 67517173
[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 22017541
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533855
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185116
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile
CID 22017560
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1H-indole-5-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916342
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone
CID 174808821
1-[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethanone
CID 57331242

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone (CID 15166395) is [4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CCN(CCc2ccc3nonc3c2)CC1.
What is the InChIKey of [4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is OMAVYBZIVROYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-21(17-2-4-18-16(14-17)5-7-22-18)26-11-9-25(10-12-26)8-6-15-1-3-19-20(13-15)24-28-23-19/h1-5,7,13-14,22H,6,8-12H2.
What are the key properties of [4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 375.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 15166395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).