1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone

C11H20N2O2 — CID 120571061

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone
SMILESC=CCOCC(=O)N1CCNC(C)C1C
InChIInChI=1S/C11H20N2O2/c1-4-7-15-8-11(14)13-6-5-12-9(2)10(13)3/h4,9-10,12H,1,5-8H2,2-3H3
InChIKeyJCXZTEBWCCRTQQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds4

About 1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone

1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone (PubChem CID 120571061) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone
PubChem CID120571061
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone
SMILESC=CCOCC(=O)N1CCNC(C)C1C
InChIInChI=1S/C11H20N2O2/c1-4-7-15-8-11(14)13-6-5-12-9(2)10(13)3/h4,9-10,12H,1,5-8H2,2-3H3
InChIKeyJCXZTEBWCCRTQQ-UHFFFAOYSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone (CID 120571061) is 1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone is C=CCOCC(=O)N1CCNC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone?
The InChIKey is JCXZTEBWCCRTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-7-15-8-11(14)13-6-5-12-9(2)10(13)3/h4,9-10,12H,1,5-8H2,2-3H3.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone?
1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone has a molecular weight of 212.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone is sourced from PubChem (CID 120571061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).