2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate

C11H18N2O3 — CID 159707126

IUPAC2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate
SMILESC=CC(=O)N1CCN(CCOC(C)=O)CC1
InChIInChI=1S/C11H18N2O3/c1-3-11(15)13-6-4-12(5-7-13)8-9-16-10(2)14/h3H,1,4-9H2,2H3
InChIKeyDMPHMSHRSRAFTA-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.12
Rot. Bonds4

About 2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate

2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate (PubChem CID 159707126) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate
PubChem CID159707126
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate
SMILESC=CC(=O)N1CCN(CCOC(C)=O)CC1
InChIInChI=1S/C11H18N2O3/c1-3-11(15)13-6-4-12(5-7-13)8-9-16-10(2)14/h3H,1,4-9H2,2H3
InChIKeyDMPHMSHRSRAFTA-UHFFFAOYSA-N
XLogP-0.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate?
The IUPAC name of 2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate (CID 159707126) is 2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate?
The canonical SMILES for 2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate is C=CC(=O)N1CCN(CCOC(C)=O)CC1.
What is the InChIKey of 2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate?
The InChIKey is DMPHMSHRSRAFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-11(15)13-6-4-12(5-7-13)8-9-16-10(2)14/h3H,1,4-9H2,2H3.
What are the key properties of 2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate?
2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate has a molecular weight of 226.28 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate is sourced from PubChem (CID 159707126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).