1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

C12H20N2O2 — CID 102652576

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCO1)N1CCNCC1
InChIInChI=1S/C12H20N2O2/c1-12(2,14-7-5-13-6-8-14)11(15)10-4-3-9-16-10/h4,13H,3,5-9H2,1-2H3
InChIKeySTTZCTCYCBPPMX-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.54
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (PubChem CID 102652576) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
PubChem CID102652576
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCO1)N1CCNCC1
InChIInChI=1S/C12H20N2O2/c1-12(2,14-7-5-13-6-8-14)11(15)10-4-3-9-16-10/h4,13H,3,5-9H2,1-2H3
InChIKeySTTZCTCYCBPPMX-UHFFFAOYSA-N
XLogP0.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (CID 102652576) is 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is CC(C)(C(=O)C1=CCCO1)N1CCNCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is STTZCTCYCBPPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,14-7-5-13-6-8-14)11(15)10-4-3-9-16-10/h4,13H,3,5-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one has a molecular weight of 224.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 102652576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).