(3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone

C11H20N2O2 — CID 170181641

IUPAC(3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CCOC2)CC1
InChIInChI=1S/C11H20N2O2/c1-11(3-8-15-9-11)10(14)13-6-4-12(2)5-7-13/h3-9H2,1-2H3
InChIKeySTFWPGPFDBEZSC-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.19
Rot. Bonds1

About (3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone

(3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 170181641) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID170181641
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CCOC2)CC1
InChIInChI=1S/C11H20N2O2/c1-11(3-8-15-9-11)10(14)13-6-4-12(2)5-7-13/h3-9H2,1-2H3
InChIKeySTFWPGPFDBEZSC-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 170181641) is (3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(C)CCOC2)CC1.
What is the InChIKey of (3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is STFWPGPFDBEZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(3-8-15-9-11)10(14)13-6-4-12(2)5-7-13/h3-9H2,1-2H3.
What are the key properties of (3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone?
(3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 170181641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).