furan-2-yl-(3-methylpiperazin-1-yl)methanone

C10H14N2O2 — CID 64980953

IUPACfuran-2-yl-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccco2)CCN1
InChIInChI=1S/C10H14N2O2/c1-8-7-12(5-4-11-8)10(13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyHCSDYDJYVLRACX-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.71
Rot. Bonds1

About furan-2-yl-(3-methylpiperazin-1-yl)methanone

furan-2-yl-(3-methylpiperazin-1-yl)methanone (PubChem CID 64980953) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is furan-2-yl-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(3-methylpiperazin-1-yl)methanone
PubChem CID64980953
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namefuran-2-yl-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccco2)CCN1
InChIInChI=1S/C10H14N2O2/c1-8-7-12(5-4-11-8)10(13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyHCSDYDJYVLRACX-UHFFFAOYSA-N
XLogP0.71
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82243423
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone
CID 114683288
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
(3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone
CID 119577876
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(furan-2-yl)methanone
CID 43603970
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of furan-2-yl-(3-methylpiperazin-1-yl)methanone (CID 64980953) is furan-2-yl-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for furan-2-yl-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccco2)CCN1.
What is the InChIKey of furan-2-yl-(3-methylpiperazin-1-yl)methanone?
The InChIKey is HCSDYDJYVLRACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-7-12(5-4-11-8)10(13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3.
What are the key properties of furan-2-yl-(3-methylpiperazin-1-yl)methanone?
furan-2-yl-(3-methylpiperazin-1-yl)methanone has a molecular weight of 194.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 64980953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).