2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone

C13H23N3O2 — CID 102656043

IUPAC2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)COC2(C)CNC2)CC1
InChIInChI=1S/C13H23N3O2/c1-3-4-15-5-7-16(8-6-15)12(17)9-18-13(2)10-14-11-13/h3,14H,1,4-11H2,2H3
InChIKeyPYADMJVAHVLWGI-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.30
Rot. Bonds5

About 2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone

2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone (PubChem CID 102656043) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone
PubChem CID102656043
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)COC2(C)CNC2)CC1
InChIInChI=1S/C13H23N3O2/c1-3-4-15-5-7-16(8-6-15)12(17)9-18-13(2)10-14-11-13/h3,14H,1,4-11H2,2H3
InChIKeyPYADMJVAHVLWGI-UHFFFAOYSA-N
XLogP-0.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-enylacetamide
CID 53516282
6-(Aminomethyl)-2,2-dimethyl-4-prop-2-enylmorpholin-3-one
CID 24262270
2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 48137593
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60708215
2-(Prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 79278553
1-(2,2-Dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone
CID 79285661
2-(3-Methylazetidin-3-yl)oxy-1-morpholin-4-ylethanone
CID 83065914
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide
CID 83066066
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
CID 83066745
2-(3-Methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
CID 83067264
5-(Methylaminomethyl)-4-prop-2-enylmorpholin-3-one
CID 84111195
2-(3-Methylazetidin-3-yl)oxy-1-piperazin-1-ylethanone
CID 102610663

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone (CID 102656043) is 2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone is C=CCN1CCN(C(=O)COC2(C)CNC2)CC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The InChIKey is PYADMJVAHVLWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-4-15-5-7-16(8-6-15)12(17)9-18-13(2)10-14-11-13/h3,14H,1,4-11H2,2H3.
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone has a molecular weight of 253.35 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone is sourced from PubChem (CID 102656043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).