(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone

C12H18N2O2 — CID 79507269

IUPAC(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C12H18N2O2/c1-9-4-7-16-10(9)11(15)14-6-5-13-12(2,3)8-14/h4,7,13H,5-6,8H2,1-3H3
InChIKeyGHNQYJKFRMZMJF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.41
Rot. Bonds1

About (3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone

(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone (PubChem CID 79507269) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
PubChem CID79507269
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C12H18N2O2/c1-9-4-7-16-10(9)11(15)14-6-5-13-12(2,3)8-14/h4,7,13H,5-6,8H2,1-3H3
InChIKeyGHNQYJKFRMZMJF-UHFFFAOYSA-N
XLogP1.41
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 79506581
(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249
(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506872
(2,6-dihydroxyphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 107688424
(3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304339
(4-bromo-3-methylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 112706000
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
(3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203007
(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015493
(3,3-dimethylpiperazin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 79014930
(2-bromophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015131
(3,3-dimethylpiperazin-1-yl)-(2-methyl-4-nitrophenyl)methanone
CID 79506096

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone (CID 79507269) is (3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCNC(C)(C)C1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone?
The InChIKey is GHNQYJKFRMZMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-7-16-10(9)11(15)14-6-5-13-12(2,3)8-14/h4,7,13H,5-6,8H2,1-3H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone?
(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 79507269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).