2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone

C21H22N2O3 — CID 110802210

IUPAC2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)c1
InChIInChI=1S/C21H22N2O3/c1-15-3-2-4-17(13-15)20(24)22-8-10-23(11-9-22)21(25)18-5-6-19-16(14-18)7-12-26-19/h2-6,13-14H,7-12H2,1H3
InChIKeyFQZGWEHRWHEDJX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.53
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone

2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110802210) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
PubChem CID110802210
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)c1
InChIInChI=1S/C21H22N2O3/c1-15-3-2-4-17(13-15)20(24)22-8-10-23(11-9-22)21(25)18-5-6-19-16(14-18)7-12-26-19/h2-6,13-14H,7-12H2,1H3
InChIKeyFQZGWEHRWHEDJX-UHFFFAOYSA-N
XLogP2.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)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

2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 37439719
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110814917
4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide
CID 62199773
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
2,3-dihydro-1-benzofuran-5-yl-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816782
3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
CID 54908650
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814974
1,3-benzodioxol-5-yl-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 36628594
(2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide
CID 95895523
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone (CID 110802210) is 2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is FQZGWEHRWHEDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-3-2-4-17(13-15)20(24)22-8-10-23(11-9-22)21(25)18-5-6-19-16(14-18)7-12-26-19/h2-6,13-14H,7-12H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone?
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110802210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).