2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone

C13H23N3O2 — CID 66426596

IUPAC2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)CC2CNCCO2)CC1
InChIInChI=1S/C13H23N3O2/c1-2-4-15-5-7-16(8-6-15)13(17)10-12-11-14-3-9-18-12/h2,12,14H,1,3-11H2
InChIKeyYOZKECRQGPIHQZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.30
Rot. Bonds4

About 2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone

2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone (PubChem CID 66426596) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
PubChem CID66426596
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)CC2CNCCO2)CC1
InChIInChI=1S/C13H23N3O2/c1-2-4-15-5-7-16(8-6-15)13(17)10-12-11-14-3-9-18-12/h2,12,14H,1,3-11H2
InChIKeyYOZKECRQGPIHQZ-UHFFFAOYSA-N
XLogP-0.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The IUPAC name of 2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone (CID 66426596) is 2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone is C=CCN1CCN(C(=O)CC2CNCCO2)CC1.
What is the InChIKey of 2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The InChIKey is YOZKECRQGPIHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-4-15-5-7-16(8-6-15)13(17)10-12-11-14-3-9-18-12/h2,12,14H,1,3-11H2.
What are the key properties of 2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone has a molecular weight of 253.35 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-1-(4-prop-2-enylpiperazin-1-yl)ethanone is sourced from PubChem (CID 66426596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).