2-(4-methylpiperazin-1-yl)prop-2-enamide

C8H15N3O — CID 22120233

IUPAC2-(4-methylpiperazin-1-yl)prop-2-enamide
SMILESC=C(C(N)=O)N1CCN(C)CC1
InChIInChI=1S/C8H15N3O/c1-7(8(9)12)11-5-3-10(2)4-6-11/h1,3-6H2,2H3,(H2,9,12)
InChIKeyGQVZGPUMRHDKFZ-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.77
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)prop-2-enamide

2-(4-methylpiperazin-1-yl)prop-2-enamide (PubChem CID 22120233) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)prop-2-enamide
PubChem CID22120233
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(4-methylpiperazin-1-yl)prop-2-enamide
SMILESC=C(C(N)=O)N1CCN(C)CC1
InChIInChI=1S/C8H15N3O/c1-7(8(9)12)11-5-3-10(2)4-6-11/h1,3-6H2,2H3,(H2,9,12)
InChIKeyGQVZGPUMRHDKFZ-UHFFFAOYSA-N
XLogP-0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
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 2-(4-methylpiperazin-1-yl)prop-2-enamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)prop-2-enamide (CID 22120233) is 2-(4-methylpiperazin-1-yl)prop-2-enamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)prop-2-enamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)prop-2-enamide is C=C(C(N)=O)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)prop-2-enamide?
The InChIKey is GQVZGPUMRHDKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(8(9)12)11-5-3-10(2)4-6-11/h1,3-6H2,2H3,(H2,9,12).
What are the key properties of 2-(4-methylpiperazin-1-yl)prop-2-enamide?
2-(4-methylpiperazin-1-yl)prop-2-enamide has a molecular weight of 169.23 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)prop-2-enamide is sourced from PubChem (CID 22120233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).