(E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide

C10H19N3O — CID 89242759

IUPAC(E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide
SMILESCNC(=O)/C=C/CN1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-11-10(14)4-3-5-13-8-6-12(2)7-9-13/h3-4H,5-9H2,1-2H3,(H,11,14)/b4-3+
InChIKeyLBPZWCWJTJIEHU-ONEGZZNKSA-N
MW197.28 g/mol
LogP-0.46
Rot. Bonds3

About (E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide

(E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide (PubChem CID 89242759) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide
PubChem CID89242759
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide
SMILESCNC(=O)/C=C/CN1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-11-10(14)4-3-5-13-8-6-12(2)7-9-13/h3-4H,5-9H2,1-2H3,(H,11,14)/b4-3+
InChIKeyLBPZWCWJTJIEHU-ONEGZZNKSA-N
XLogP-0.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.46
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 (E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide?
The IUPAC name of (E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide (CID 89242759) is (E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide?
The canonical SMILES for (E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide is CNC(=O)/C=C/CN1CCN(C)CC1.
What is the InChIKey of (E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide?
The InChIKey is LBPZWCWJTJIEHU-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-10(14)4-3-5-13-8-6-12(2)7-9-13/h3-4H,5-9H2,1-2H3,(H,11,14)/b4-3+.
What are the key properties of (E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide?
(E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide has a molecular weight of 197.28 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 89242759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).