[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone

C14H18N2O2 — CID 124512887

IUPAC[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CCN1
InChIInChI=1S/C14H18N2O2/c1-10-8-16(7-6-15-10)14(17)12-9-18-13-5-3-2-4-11(12)13/h2-5,10,12,15H,6-9H2,1H3/t10-,12+/m1/s1
InChIKeyJJPUONKHYGOKTD-PWSUYJOCSA-N
MW246.31 g/mol
LogP0.98
Rot. Bonds1

About [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone

[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 124512887) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID124512887
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CCN1
InChIInChI=1S/C14H18N2O2/c1-10-8-16(7-6-15-10)14(17)12-9-18-13-5-3-2-4-11(12)13/h2-5,10,12,15H,6-9H2,1H3/t10-,12+/m1/s1
InChIKeyJJPUONKHYGOKTD-PWSUYJOCSA-N
XLogP0.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119577529
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580377
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681616
[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 98346719
2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515413
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 102938360
[(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124697762
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511664
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 136525380
5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154857998

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone (CID 124512887) is [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CCN1.
What is the InChIKey of [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is JJPUONKHYGOKTD-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-8-16(7-6-15-10)14(17)12-9-18-13-5-3-2-4-11(12)13/h2-5,10,12,15H,6-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 246.31 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124512887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).