[4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone

C21H19N3O2S — CID 22727384

IUPAC[4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]cc(-c3cccs3)c12)N1CCN(c2ccco2)CC1
InChIInChI=1S/C21H19N3O2S/c25-21(24-10-8-23(9-11-24)19-7-2-12-26-19)15-4-1-5-17-20(15)16(14-22-17)18-6-3-13-27-18/h1-7,12-14,22H,8-11H2
InChIKeyYFGKDUZTNXRREO-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.45
Rot. Bonds3

About [4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone

[4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone (PubChem CID 22727384) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is [4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone
PubChem CID22727384
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name[4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]cc(-c3cccs3)c12)N1CCN(c2ccco2)CC1
InChIInChI=1S/C21H19N3O2S/c25-21(24-10-8-23(9-11-24)19-7-2-12-26-19)15-4-1-5-17-20(15)16(14-22-17)18-6-3-13-27-18/h1-7,12-14,22H,8-11H2
InChIKeyYFGKDUZTNXRREO-UHFFFAOYSA-N
XLogP4.45
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone?
The IUPAC name of [4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone (CID 22727384) is [4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone.
What is the SMILES notation for [4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone?
The canonical SMILES for [4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone is O=C(c1cccc2[nH]cc(-c3cccs3)c12)N1CCN(c2ccco2)CC1.
What is the InChIKey of [4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone?
The InChIKey is YFGKDUZTNXRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-21(24-10-8-23(9-11-24)19-7-2-12-26-19)15-4-1-5-17-20(15)16(14-22-17)18-6-3-13-27-18/h1-7,12-14,22H,8-11H2.
What are the key properties of [4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone?
[4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone has a molecular weight of 377.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone is sourced from PubChem (CID 22727384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).