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

C22H24N2O4 — CID 37351016

IUPAC1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C22H24N2O4/c1-26-18-7-8-19(27-2)17(13-18)15-23-9-11-24(12-10-23)22(25)21-14-16-5-3-4-6-20(16)28-21/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyOMLJNHPOJLHBHP-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.41
Rot. Bonds5

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

1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 37351016) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID37351016
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C22H24N2O4/c1-26-18-7-8-19(27-2)17(13-18)15-23-9-11-24(12-10-23)22(25)21-14-16-5-3-4-6-20(16)28-21/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyOMLJNHPOJLHBHP-UHFFFAOYSA-N
XLogP3.41
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-aminophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946117
1-benzofuran-2-yl-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 138378120
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41136212
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 37279771
3-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 37279964
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-phenylphenyl)methanone
CID 37280250
3-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 171385899
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 37278947
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37278337
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 37351016) is 1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(OC)c(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)c1.
What is the InChIKey of 1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is OMLJNHPOJLHBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-18-7-8-19(27-2)17(13-18)15-23-9-11-24(12-10-23)22(25)21-14-16-5-3-4-6-20(16)28-21/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 380.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 37351016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).