(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

C23H28N2O2 — CID 42897286

IUPAC(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccccc1CN1CCN(C(=O)c2cccc3c2OC(C)C3C)CC1
InChIInChI=1S/C23H28N2O2/c1-16-7-4-5-8-19(16)15-24-11-13-25(14-12-24)23(26)21-10-6-9-20-17(2)18(3)27-22(20)21/h4-10,17-18H,11-15H2,1-3H3
InChIKeyBLZYUBLYNKUZEK-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.84
Rot. Bonds3

About (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 42897286) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID42897286
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccccc1CN1CCN(C(=O)c2cccc3c2OC(C)C3C)CC1
InChIInChI=1S/C23H28N2O2/c1-16-7-4-5-8-19(16)15-24-11-13-25(14-12-24)23(26)21-10-6-9-20-17(2)18(3)27-22(20)21/h4-10,17-18H,11-15H2,1-3H3
InChIKeyBLZYUBLYNKUZEK-UHFFFAOYSA-N
XLogP3.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-[(2R,3R)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl]methanone
CID 41322133
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
methyl 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzoate
CID 8642324
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 8641686
4-fluoro-N-[2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 35342590
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone
CID 34742958
[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938057
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (CID 42897286) is (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1ccccc1CN1CCN(C(=O)c2cccc3c2OC(C)C3C)CC1.
What is the InChIKey of (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is BLZYUBLYNKUZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-7-4-5-8-19(16)15-24-11-13-25(14-12-24)23(26)21-10-6-9-20-17(2)18(3)27-22(20)21/h4-10,17-18H,11-15H2,1-3H3.
What are the key properties of (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42897286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).