(E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide

C11H21N3O — CID 118033996

IUPAC(E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide
SMILESCCN1CCN(C/C=C/C(=O)NC)CC1
InChIInChI=1S/C11H21N3O/c1-3-13-7-9-14(10-8-13)6-4-5-11(15)12-2/h4-5H,3,6-10H2,1-2H3,(H,12,15)/b5-4+
InChIKeyLVPLFRHRMNWOAK-SNAWJCMRSA-N
MW211.31 g/mol
LogP-0.07
Rot. Bonds4

About (E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide

(E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide (PubChem CID 118033996) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide
PubChem CID118033996
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide
SMILESCCN1CCN(C/C=C/C(=O)NC)CC1
InChIInChI=1S/C11H21N3O/c1-3-13-7-9-14(10-8-13)6-4-5-11(15)12-2/h4-5H,3,6-10H2,1-2H3,(H,12,15)/b5-4+
InChIKeyLVPLFRHRMNWOAK-SNAWJCMRSA-N
XLogP-0.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.07
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)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide (CID 118033996) is (E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide is CCN1CCN(C/C=C/C(=O)NC)CC1.
What is the InChIKey of (E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide?
The InChIKey is LVPLFRHRMNWOAK-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-13-7-9-14(10-8-13)6-4-5-11(15)12-2/h4-5H,3,6-10H2,1-2H3,(H,12,15)/b5-4+.
What are the key properties of (E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide?
(E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide has a molecular weight of 211.31 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide is sourced from PubChem (CID 118033996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).