[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone

C11H20N2O2 — CID 81427826

IUPAC[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2CCOCC2)CCN1
InChIInChI=1S/C11H20N2O2/c1-9-8-13(5-4-12-9)11(14)10-2-6-15-7-3-10/h9-10,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyULGSULSNCPBOCK-SECBINFHSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds1

About [(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone

[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone (PubChem CID 81427826) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
PubChem CID81427826
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2CCOCC2)CCN1
InChIInChI=1S/C11H20N2O2/c1-9-8-13(5-4-12-9)11(14)10-2-6-15-7-3-10/h9-10,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyULGSULSNCPBOCK-SECBINFHSA-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

cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 130747809
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428047
[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone
CID 63872887
oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 167312068
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone (CID 81427826) is [(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone is C[C@@H]1CN(C(=O)C2CCOCC2)CCN1.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is ULGSULSNCPBOCK-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-8-13(5-4-12-9)11(14)10-2-6-15-7-3-10/h9-10,12H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone?
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-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 [(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 81427826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).