2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone

C15H20N2O2 — CID 79506868

IUPAC2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2Cc3ccccc3O2)CCN1
InChIInChI=1S/C15H20N2O2/c1-15(2)10-17(8-7-16-15)14(18)13-9-11-5-3-4-6-12(11)19-13/h3-6,13,16H,7-10H2,1-2H3
InChIKeyKWIWALLFSGJNHJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.20
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone

2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone (PubChem CID 79506868) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone
PubChem CID79506868
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2Cc3ccccc3O2)CCN1
InChIInChI=1S/C15H20N2O2/c1-15(2)10-17(8-7-16-15)14(18)13-9-11-5-3-4-6-12(11)19-13/h3-6,13,16H,7-10H2,1-2H3
InChIKeyKWIWALLFSGJNHJ-UHFFFAOYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79507163
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123309
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
2,3-dihydro-1-benzofuran-2-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304626
(4-benzylpiperazin-1-yl)-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9071498
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9087045
2,3-dihydro-1-benzofuran-2-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705558
(4-benzylpiperazin-1-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 10316388
2,3-dihydro-1-benzofuran-2-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996147
[(3S)-3-aminopyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 119934449
4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074961

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone (CID 79506868) is 2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone is CC1(C)CN(C(=O)C2Cc3ccccc3O2)CCN1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is KWIWALLFSGJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)10-17(8-7-16-15)14(18)13-9-11-5-3-4-6-12(11)19-13/h3-6,13,16H,7-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone?
2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 79506868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).