(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone

C11H16N2O2 — CID 63911769

IUPAC(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1ccco1
InChIInChI=1S/C11H16N2O2/c1-8-6-12-7-9(2)13(8)11(14)10-4-3-5-15-10/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyNZFNYIQHJCXYEO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.10
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone

(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone (PubChem CID 63911769) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone
PubChem CID63911769
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1ccco1
InChIInChI=1S/C11H16N2O2/c1-8-6-12-7-9(2)13(8)11(14)10-4-3-5-15-10/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyNZFNYIQHJCXYEO-UHFFFAOYSA-N
XLogP1.10
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
(2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 63910003
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone
CID 129470935
(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
CID 110602243
methyl 4-[[(3R,5S)-4-(furan-2-carbonyl)-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367051
furan-2-yl-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 107388672
(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 63909598
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
CID 129413863

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone (CID 63911769) is (2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone is CC1CNCC(C)N1C(=O)c1ccco1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone?
The InChIKey is NZFNYIQHJCXYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-6-12-7-9(2)13(8)11(14)10-4-3-5-15-10/h3-5,8-9,12H,6-7H2,1-2H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone?
(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 63911769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).