(E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide

C11H21N3O2 — CID 90066329

IUPAC(E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCN(CCO)CC1
InChIInChI=1S/C11H21N3O2/c1-12-11(16)3-2-4-13-5-7-14(8-6-13)9-10-15/h2-3,15H,4-10H2,1H3,(H,12,16)/b3-2+
InChIKeyXFVAMZZLGHMFPZ-NSCUHMNNSA-N
MW227.31 g/mol
LogP-1.10
Rot. Bonds5

About (E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide

(E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide (PubChem CID 90066329) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide
PubChem CID90066329
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCN(CCO)CC1
InChIInChI=1S/C11H21N3O2/c1-12-11(16)3-2-4-13-5-7-14(8-6-13)9-10-15/h2-3,15H,4-10H2,1H3,(H,12,16)/b3-2+
InChIKeyXFVAMZZLGHMFPZ-NSCUHMNNSA-N
XLogP-1.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methyl-4-morpholin-4-ylbut-2-enamide
CID 89242760
(E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide
CID 5355529
CID 58998107
CID 58998107
(E)-N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide
CID 89242759
(E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide
CID 89465056
1-[2-(2-Hydroxyethylamino)ethyl]pyrrole-2,5-dione
CID 90070612
N-methyl-4-morpholin-4-ylbut-2-enamide
CID 90934909
N-methyl-4-(4-methylpiperazin-1-yl)but-2-enamide
CID 91494657
(E)-N-iodo-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide
CID 118033988
(E)-4-(4-ethylpiperazin-1-yl)-N-methylbut-2-enamide
CID 118033996
(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide
CID 118034007
N-[2-[2-hydroxyethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118100396

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide?
The IUPAC name of (E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide (CID 90066329) is (E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide is CNC(=O)/C=C/CN1CCN(CCO)CC1.
What is the InChIKey of (E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide?
The InChIKey is XFVAMZZLGHMFPZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-12-11(16)3-2-4-13-5-7-14(8-6-13)9-10-15/h2-3,15H,4-10H2,1H3,(H,12,16)/b3-2+.
What are the key properties of (E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide?
(E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide has a molecular weight of 227.31 g/mol, XLogP of -1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide is sourced from PubChem (CID 90066329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).