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

C22H24N2O3 — CID 589845

IUPAC(5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc2oc(C)c(C(=O)N3CCN(c4ccccc4C)CC3)c2c1
InChIInChI=1S/C22H24N2O3/c1-15-6-4-5-7-19(15)23-10-12-24(13-11-23)22(25)21-16(2)27-20-9-8-17(26-3)14-18(20)21/h4-9,14H,10-13H2,1-3H3
InChIKeyHVUCWOWREBNNSV-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.02
Rot. Bonds3

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

(5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 589845) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID589845
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc2oc(C)c(C(=O)N3CCN(c4ccccc4C)CC3)c2c1
InChIInChI=1S/C22H24N2O3/c1-15-6-4-5-7-19(15)23-10-12-24(13-11-23)22(25)21-16(2)27-20-9-8-17(26-3)14-18(20)21/h4-9,14H,10-13H2,1-3H3
InChIKeyHVUCWOWREBNNSV-UHFFFAOYSA-N
XLogP4.02
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55789606
(2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide
CID 95346522
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,4-diazepan-5-one
CID 56821206
4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 75415390
(2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid
CID 125151943
N-cyclopropyl-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55790290
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3369416
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 8968412
2-(4-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 8910906
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 589845) is (5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is COc1ccc2oc(C)c(C(=O)N3CCN(c4ccccc4C)CC3)c2c1.
What is the InChIKey of (5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is HVUCWOWREBNNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-6-4-5-7-19(15)23-10-12-24(13-11-23)22(25)21-16(2)27-20-9-8-17(26-3)14-18(20)21/h4-9,14H,10-13H2,1-3H3.
What are the key properties of (5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 589845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).