2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone

C14H24N2O2 — CID 70950381

IUPAC2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone
SMILESCC(C)(C)CN1CCN(C(=O)C2=CCCO2)CC1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)11-15-6-8-16(9-7-15)13(17)12-5-4-10-18-12/h5H,4,6-11H2,1-3H3
InChIKeyQOQHUGGXHXCESM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.48
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone

2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone (PubChem CID 70950381) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone
PubChem CID70950381
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone
SMILESCC(C)(C)CN1CCN(C(=O)C2=CCCO2)CC1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)11-15-6-8-16(9-7-15)13(17)12-5-4-10-18-12/h5H,4,6-11H2,1-3H3
InChIKeyQOQHUGGXHXCESM-UHFFFAOYSA-N
XLogP1.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone (CID 70950381) is 2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone is CC(C)(C)CN1CCN(C(=O)C2=CCCO2)CC1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone?
The InChIKey is QOQHUGGXHXCESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)11-15-6-8-16(9-7-15)13(17)12-5-4-10-18-12/h5H,4,6-11H2,1-3H3.
What are the key properties of 2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone?
2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone has a molecular weight of 252.36 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70950381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).