2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone

C10H19N3O2 — CID 102610663

IUPAC2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone
SMILESCC1(OCC(=O)N2CCNCC2)CNC1
InChIInChI=1S/C10H19N3O2/c1-10(7-12-8-10)15-6-9(14)13-4-2-11-3-5-13/h11-12H,2-8H2,1H3
InChIKeyALMDKLBIDHTFCQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.20
Rot. Bonds3

About 2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone

2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone (PubChem CID 102610663) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone
PubChem CID102610663
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone
SMILESCC1(OCC(=O)N2CCNCC2)CNC1
InChIInChI=1S/C10H19N3O2/c1-10(7-12-8-10)15-6-9(14)13-4-2-11-3-5-13/h11-12H,2-8H2,1H3
InChIKeyALMDKLBIDHTFCQ-UHFFFAOYSA-N
XLogP-1.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone (CID 102610663) is 2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone is CC1(OCC(=O)N2CCNCC2)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone?
The InChIKey is ALMDKLBIDHTFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(7-12-8-10)15-6-9(14)13-4-2-11-3-5-13/h11-12H,2-8H2,1H3.
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone?
2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone has a molecular weight of 213.28 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone is sourced from PubChem (CID 102610663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).