(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide

C11H21N3O2 — CID 122536663

IUPAC(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide
SMILESCOCCN1CCN(C/C=C/C(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-16-10-9-14-7-5-13(6-8-14)4-2-3-11(12)15/h2-3H,4-10H2,1H3,(H2,12,15)/b3-2+
InChIKeyLCBPORGIHAHUQV-NSCUHMNNSA-N
MW227.31 g/mol
LogP-0.71
Rot. Bonds6

About (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide

(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide (PubChem CID 122536663) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide
PubChem CID122536663
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide
SMILESCOCCN1CCN(C/C=C/C(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-16-10-9-14-7-5-13(6-8-14)4-2-3-11(12)15/h2-3H,4-10H2,1H3,(H2,12,15)/b3-2+
InChIKeyLCBPORGIHAHUQV-NSCUHMNNSA-N
XLogP-0.71
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
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
4-Fluoro-4-morpholin-4-ylbut-2-enamide
CID 174765550
(E)-4-morpholin-4-ylbut-2-enamide
CID 17897632
(E)-4-[2-methoxyethyl(methyl)amino]but-2-enamide
CID 17903637
4-Morpholin-4-ylbut-2-enamide
CID 53733694
5-Morpholin-4-ylpent-2-enamide
CID 57903941
CID 58998125
CID 58998125
2-Methyl-4-morpholin-4-ylbut-2-enamide
CID 68133555
3-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide
CID 84367953
(E)-N-tert-butyl-4-morpholin-4-ylbut-2-enamide
CID 90066116
(E)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbut-2-enamide
CID 90066329
N-methyl-4-morpholin-4-ylbut-2-enamide
CID 90934909

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide?
The IUPAC name of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide (CID 122536663) is (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide.
What is the SMILES notation for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide?
The canonical SMILES for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide is COCCN1CCN(C/C=C/C(N)=O)CC1.
What is the InChIKey of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide?
The InChIKey is LCBPORGIHAHUQV-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-16-10-9-14-7-5-13(6-8-14)4-2-3-11(12)15/h2-3H,4-10H2,1H3,(H2,12,15)/b3-2+.
What are the key properties of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide?
(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide has a molecular weight of 227.31 g/mol, XLogP of -0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide is sourced from PubChem (CID 122536663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).