furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone

C13H20N2O2 — CID 21026314

IUPACfuran-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H20N2O2/c1-11(2)10-14-5-7-15(8-6-14)13(16)12-4-3-9-17-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyIDFYEWZSAUEACB-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.69
Rot. Bonds3

About furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone

furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 21026314) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID21026314
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namefuran-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H20N2O2/c1-11(2)10-14-5-7-15(8-6-14)13(16)12-4-3-9-17-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyIDFYEWZSAUEACB-UHFFFAOYSA-N
XLogP1.69
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95344609
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95347650
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46445280
[4-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 110897183
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 110887602
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 26495597
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 21026314) is furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is IDFYEWZSAUEACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(2)10-14-5-7-15(8-6-14)13(16)12-4-3-9-17-12/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 236.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 21026314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).