(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone

C11H20N2O2 — CID 104856276

IUPAC(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
SMILESCC1CN(C(=O)[C@@H]2CCCO2)CC(C)N1
InChIInChI=1S/C11H20N2O2/c1-8-6-13(7-9(2)12-8)11(14)10-4-3-5-15-10/h8-10,12H,3-7H2,1-2H3/t8?,9?,10-/m0/s1
InChIKeyIUBLAAPUXVEJJJ-RTBKNWGFSA-N
MW212.29 g/mol
LogP0.37
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone

(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone (PubChem CID 104856276) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
PubChem CID104856276
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
SMILESCC1CN(C(=O)[C@@H]2CCCO2)CC(C)N1
InChIInChI=1S/C11H20N2O2/c1-8-6-13(7-9(2)12-8)11(14)10-4-3-5-15-10/h8-10,12H,3-7H2,1-2H3/t8?,9?,10-/m0/s1
InChIKeyIUBLAAPUXVEJJJ-RTBKNWGFSA-N
XLogP0.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 63863884
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104892399
(3,4-dihydroxypyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 106671015
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 79403349
(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 103575844
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 102937308
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 102937670
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 120617558
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone (CID 104856276) is (3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone is CC1CN(C(=O)[C@@H]2CCCO2)CC(C)N1.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone?
The InChIKey is IUBLAAPUXVEJJJ-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-6-13(7-9(2)12-8)11(14)10-4-3-5-15-10/h8-10,12H,3-7H2,1-2H3/t8?,9?,10-/m0/s1.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone?
(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone has a molecular weight of 212.29 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 104856276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).