(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone

C24H26N2O6 — CID 55904204

IUPAC(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3oc4ccc(OC)cc4c3C)CC2)c(OC)c1
InChIInChI=1S/C24H26N2O6/c1-15-19-13-16(29-2)6-8-20(19)32-22(15)24(28)26-11-9-25(10-12-26)23(27)18-7-5-17(30-3)14-21(18)31-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyRYQMUUMRXVHNTK-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.37
Rot. Bonds5

About (2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 55904204) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
PubChem CID55904204
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3oc4ccc(OC)cc4c3C)CC2)c(OC)c1
InChIInChI=1S/C24H26N2O6/c1-15-19-13-16(29-2)6-8-20(19)32-22(15)24(28)26-11-9-25(10-12-26)23(27)18-7-5-17(30-3)14-21(18)31-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyRYQMUUMRXVHNTK-UHFFFAOYSA-N
XLogP3.37
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9077758
(5-methoxy-3-methyl-1-benzofuran-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 86862268
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9077186
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9049227
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 2664104
5-methoxy-3-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide
CID 55672407
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 55389652
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51318737
methyl 4-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate
CID 55691926

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone (CID 55904204) is (2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3oc4ccc(OC)cc4c3C)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is RYQMUUMRXVHNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-15-19-13-16(29-2)6-8-20(19)32-22(15)24(28)26-11-9-25(10-12-26)23(27)18-7-5-17(30-3)14-21(18)31-4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 438.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55904204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).