(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone

C11H20N2O2 — CID 63872887

IUPAC(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone
SMILESCC1CN(C(=O)C2CCOC2)CC(C)N1
InChIInChI=1S/C11H20N2O2/c1-8-5-13(6-9(2)12-8)11(14)10-3-4-15-7-10/h8-10,12H,3-7H2,1-2H3
InChIKeyPKIFEPJOLOVJMC-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone

(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone (PubChem CID 63872887) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone
PubChem CID63872887
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone
SMILESCC1CN(C(=O)C2CCOC2)CC(C)N1
InChIInChI=1S/C11H20N2O2/c1-8-5-13(6-9(2)12-8)11(14)10-3-4-15-7-10/h8-10,12H,3-7H2,1-2H3
InChIKeyPKIFEPJOLOVJMC-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
[(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 165444725
(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 114683166
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl(oxan-4-yl)methanone
CID 91472362
(3,5-dimethylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 63863884
(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 104856276
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277
[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 123667986
5-oxa-2,8-diazaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanone
CID 131651947

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone (CID 63872887) is (3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone is CC1CN(C(=O)C2CCOC2)CC(C)N1.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone?
The InChIKey is PKIFEPJOLOVJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-5-13(6-9(2)12-8)11(14)10-3-4-15-7-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone?
(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.23, 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)-(oxolan-3-yl)methanone is sourced from PubChem (CID 63872887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).