(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone

C11H20N2O2 — CID 64593251

IUPAC(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
SMILESCN1CCN(C(=O)C2CCCCO2)CC1
InChIInChI=1S/C11H20N2O2/c1-12-5-7-13(8-6-12)11(14)10-4-2-3-9-15-10/h10H,2-9H2,1H3
InChIKeyVUVGCALQAIBCBS-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.33
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(oxan-2-yl)methanone

(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone (PubChem CID 64593251) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
PubChem CID64593251
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
SMILESCN1CCN(C(=O)C2CCCCO2)CC1
InChIInChI=1S/C11H20N2O2/c1-12-5-7-13(8-6-12)11(14)10-4-2-3-9-15-10/h10H,2-9H2,1H3
InChIKeyVUVGCALQAIBCBS-UHFFFAOYSA-N
XLogP0.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl(oxan-2-yl)methanone
CID 64592467
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
2-bromo-2-methyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 114327369
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
[4-(1-bromoethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 106839160
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone
CID 113282965
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 79403349
(3,4-dihydroxypyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 106671015
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(oxan-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(oxan-2-yl)methanone (CID 64593251) is (4-methylpiperazin-1-yl)-(oxan-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(oxan-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(oxan-2-yl)methanone is CN1CCN(C(=O)C2CCCCO2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(oxan-2-yl)methanone?
The InChIKey is VUVGCALQAIBCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-5-7-13(8-6-12)11(14)10-4-2-3-9-15-10/h10H,2-9H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(oxan-2-yl)methanone?
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(oxan-2-yl)methanone is sourced from PubChem (CID 64593251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).