furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone

C13H20N2O2 — CID 82243423

IUPACfuran-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CN(C(=O)c2ccco2)CCN1
InChIInChI=1S/C13H20N2O2/c1-10(2)8-11-9-15(6-5-14-11)13(16)12-4-3-7-17-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3
InChIKeyITTLMBTTZRFBHJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.74
Rot. Bonds3

About furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone

furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 82243423) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID82243423
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namefuran-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CN(C(=O)c2ccco2)CCN1
InChIInChI=1S/C13H20N2O2/c1-10(2)8-11-9-15(6-5-14-11)13(16)12-4-3-7-17-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3
InChIKeyITTLMBTTZRFBHJ-UHFFFAOYSA-N
XLogP1.74
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
(3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82249342
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
N,N-dimethyl-3-(2-methylpropyl)piperazine-1-carboxamide
CID 82241726
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone (CID 82243423) is furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CC1CN(C(=O)c2ccco2)CCN1.
What is the InChIKey of furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is ITTLMBTTZRFBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)8-11-9-15(6-5-14-11)13(16)12-4-3-7-17-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3.
What are the key properties of furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone?
furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 236.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 82243423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).