1,2-dimethylpiperazine;prop-2-enamide

C9H19N3O — CID 22444655

IUPAC1,2-dimethylpiperazine;prop-2-enamide
SMILESC=CC(N)=O.CC1CNCCN1C
InChIInChI=1S/C6H14N2.C3H5NO/c1-6-5-7-3-4-8(6)2;1-2-3(4)5/h6-7H,3-5H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyOZPMMXTZHLLYQY-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.43
Rot. Bonds1

About 1,2-dimethylpiperazine;prop-2-enamide

1,2-dimethylpiperazine;prop-2-enamide (PubChem CID 22444655) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,2-dimethylpiperazine;prop-2-enamide.

Molecular Properties

Compound Name1,2-dimethylpiperazine;prop-2-enamide
PubChem CID22444655
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1,2-dimethylpiperazine;prop-2-enamide
SMILESC=CC(N)=O.CC1CNCCN1C
InChIInChI=1S/C6H14N2.C3H5NO/c1-6-5-7-3-4-8(6)2;1-2-3(4)5/h6-7H,3-5H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyOZPMMXTZHLLYQY-UHFFFAOYSA-N
XLogP-0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1,2-dimethylpiperazine;prop-2-enamide?
The IUPAC name of 1,2-dimethylpiperazine;prop-2-enamide (CID 22444655) is 1,2-dimethylpiperazine;prop-2-enamide.
What is the SMILES notation for 1,2-dimethylpiperazine;prop-2-enamide?
The canonical SMILES for 1,2-dimethylpiperazine;prop-2-enamide is C=CC(N)=O.CC1CNCCN1C.
What is the InChIKey of 1,2-dimethylpiperazine;prop-2-enamide?
The InChIKey is OZPMMXTZHLLYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C3H5NO/c1-6-5-7-3-4-8(6)2;1-2-3(4)5/h6-7H,3-5H2,1-2H3;2H,1H2,(H2,4,5).
What are the key properties of 1,2-dimethylpiperazine;prop-2-enamide?
1,2-dimethylpiperazine;prop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperazine;prop-2-enamide is sourced from PubChem (CID 22444655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).