1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

C17H24N2O3 — CID 53618582

IUPAC1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)(CN1CCN(CC1)C(=O)C2=CC3=C(COC3)C=C2)O
InChIInChI=1S/C17H24N2O3/c1-17(2,21)12-18-5-7-19(8-6-18)16(20)13-3-4-14-10-22-11-15(14)9-13/h3-4,9,21H,5-8,10-12H2,1-2H3
InChIKeyYNVFJIXSUVGUIJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.30
Rot. Bonds3

About 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 53618582) has the molecular formula C17H24N2O3 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
PubChem CID53618582
Molecular FormulaC17H24N2O3
Molecular Weight304.40 g/mol
Exact Mass304.18
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)(CN1CCN(CC1)C(=O)C2=CC3=C(COC3)C=C2)O
InChIInChI=1S/C17H24N2O3/c1-17(2,21)12-18-5-7-19(8-6-18)16(20)13-3-4-14-10-22-11-15(14)9-13/h3-4,9,21H,5-8,10-12H2,1-2H3
InChIKeyYNVFJIXSUVGUIJ-UHFFFAOYSA-N
XLogP0.30
TPSA53.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity405

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)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

1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide
CID 10193515
2-[4-[4-(Propan-2-yloxymethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9118332
(4-Methylphenyl)methyl 2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylate
CID 2540463
[4-(Cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 49195660
1-[4-(1,3-Dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 53618487
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53620344
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 53623316
[4-(2-Hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 56802441
1,3-Dihydro-2-benzofuran-5-yl-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone
CID 56803155
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 63587404
Methyl 1-oxo-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydroisoquinoline-7-carboxylate
CID 72874093
[4-(1,3-Dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 75368891

Frequently Asked Questions

What is the IUPAC name of 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone (CID 53618582) is 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone is CC(C)(CN1CCN(CC1)C(=O)C2=CC3=C(COC3)C=C2)O.
What is the InChIKey of 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is YNVFJIXSUVGUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,21)12-18-5-7-19(8-6-18)16(20)13-3-4-14-10-22-11-15(14)9-13/h3-4,9,21H,5-8,10-12H2,1-2H3.
What are the key properties of 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 304.40 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53618582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).