[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C18H16BrN3O3 — CID 38909280

IUPAC[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H16BrN3O3/c19-13-3-4-14-12(10-13)11-15(20-14)17(23)21-5-7-22(8-6-21)18(24)16-2-1-9-25-16/h1-4,9-11,20H,5-8H2
InChIKeyYMLNYBZNAHOQTH-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.12
Rot. Bonds2

About [4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 38909280) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is [4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID38909280
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H16BrN3O3/c19-13-3-4-14-12(10-13)11-15(20-14)17(23)21-5-7-22(8-6-21)18(24)16-2-1-9-25-16/h1-4,9-11,20H,5-8H2
InChIKeyYMLNYBZNAHOQTH-UHFFFAOYSA-N
XLogP3.12
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38908871
4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175453
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
CID 110695005
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-bromo-1H-indol-2-yl)methanone
CID 49224964
1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905252
(5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone
CID 70879102
(3S)-1-(5-bromo-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 119113659
(3R)-1-(5-bromo-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695601
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 84579210

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 38909280) is [4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is YMLNYBZNAHOQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c19-13-3-4-14-12(10-13)11-15(20-14)17(23)21-5-7-22(8-6-21)18(24)16-2-1-9-25-16/h1-4,9-11,20H,5-8H2.
What are the key properties of [4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 402.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 38909280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).