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

C12H18N2O3 — CID 18934215

IUPAC2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1CCN(C(=O)C=C)CC1
InChIInChI=1S/C12H18N2O3/c1-3-11(15)14-7-5-13(6-8-14)9-10-17-12(16)4-2/h3-4H,1-2,5-10H2
InChIKeyCQPXQQFXXREBME-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.05
Rot. Bonds5

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

2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate (PubChem CID 18934215) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate
PubChem CID18934215
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1CCN(C(=O)C=C)CC1
InChIInChI=1S/C12H18N2O3/c1-3-11(15)14-7-5-13(6-8-14)9-10-17-12(16)4-2/h3-4H,1-2,5-10H2
InChIKeyCQPXQQFXXREBME-UHFFFAOYSA-N
XLogP0.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.05
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 prop-2-enoate?
The IUPAC name of 2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate (CID 18934215) is 2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate is C=CC(=O)OCCN1CCN(C(=O)C=C)CC1.
What is the InChIKey of 2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate?
The InChIKey is CQPXQQFXXREBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-11(15)14-7-5-13(6-8-14)9-10-17-12(16)4-2/h3-4H,1-2,5-10H2.
What are the key properties of 2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate?
2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate has a molecular weight of 238.29 g/mol, XLogP of 0.05, 5 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 prop-2-enoate is sourced from PubChem (CID 18934215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).