2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone

C24H23N3O4 — CID 78890809

IUPAC2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1cccc2cc(C(=O)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)oc12
InChIInChI=1S/C24H23N3O4/c1-30-20-8-4-5-16-13-21(31-23(16)20)24(29)27-11-9-26(10-12-27)22(28)14-17-15-25-19-7-3-2-6-18(17)19/h2-8,13,15,25H,9-12,14H2,1H3
InChIKeyASPRCTQBGLBWNW-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.45
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 78890809) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID78890809
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1cccc2cc(C(=O)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)oc12
InChIInChI=1S/C24H23N3O4/c1-30-20-8-4-5-16-13-21(31-23(16)20)24(29)27-11-9-26(10-12-27)22(28)14-17-15-25-19-7-3-2-6-18(17)19/h2-8,13,15,25H,9-12,14H2,1H3
InChIKeyASPRCTQBGLBWNW-UHFFFAOYSA-N
XLogP3.45
TPSA78.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364
(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126808733
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086533
(7-methoxy-1-benzofuran-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343430
1-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810341
(7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533621
2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
CID 55810157
(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 134160907
2-(1H-indol-3-yl)-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 55810440

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone (CID 78890809) is 2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone is COc1cccc2cc(C(=O)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)oc12.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ASPRCTQBGLBWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-30-20-8-4-5-16-13-21(31-23(16)20)24(29)27-11-9-26(10-12-27)22(28)14-17-15-25-19-7-3-2-6-18(17)19/h2-8,13,15,25H,9-12,14H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 417.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 78890809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).