(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

C11H20N2O2 — CID 81428047

IUPAC(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCC1CCC(C(=O)N2CCN[C@H](C)C2)O1
InChIInChI=1S/C11H20N2O2/c1-8-7-13(6-5-12-8)11(14)10-4-3-9(2)15-10/h8-10,12H,3-7H2,1-2H3/t8-,9?,10?/m1/s1
InChIKeyFYHZKSQCWDGXAB-XNWIYYODSA-N
MW212.29 g/mol
LogP0.37
Rot. Bonds1

About (5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 81428047) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID81428047
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCC1CCC(C(=O)N2CCN[C@H](C)C2)O1
InChIInChI=1S/C11H20N2O2/c1-8-7-13(6-5-12-8)11(14)10-4-3-9(2)15-10/h8-10,12H,3-7H2,1-2H3/t8-,9?,10?/m1/s1
InChIKeyFYHZKSQCWDGXAB-XNWIYYODSA-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

cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395
[3-(methylamino)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 115300185
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81329769
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 124593337
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330276
methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate
CID 81004933
N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide
CID 81327620

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 81428047) is (5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone is CC1CCC(C(=O)N2CCN[C@H](C)C2)O1.
What is the InChIKey of (5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is FYHZKSQCWDGXAB-XNWIYYODSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-7-13(6-5-12-8)11(14)10-4-3-9(2)15-10/h8-10,12H,3-7H2,1-2H3/t8-,9?,10?/m1/s1.
What are the key properties of (5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-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 (5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81428047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).