4-(4-ethylpiperazin-1-yl)but-2-enamide

C10H19N3O — CID 141030287

IUPAC4-(4-ethylpiperazin-1-yl)but-2-enamide
SMILESCCN1CCN(CC=CC(N)=O)CC1
InChIInChI=1S/C10H19N3O/c1-2-12-6-8-13(9-7-12)5-3-4-10(11)14/h3-4H,2,5-9H2,1H3,(H2,11,14)
InChIKeyZTHRYMJTOQMKGG-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.33
Rot. Bonds4

About 4-(4-ethylpiperazin-1-yl)but-2-enamide

4-(4-ethylpiperazin-1-yl)but-2-enamide (PubChem CID 141030287) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)but-2-enamide
PubChem CID141030287
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-(4-ethylpiperazin-1-yl)but-2-enamide
SMILESCCN1CCN(CC=CC(N)=O)CC1
InChIInChI=1S/C10H19N3O/c1-2-12-6-8-13(9-7-12)5-3-4-10(11)14/h3-4H,2,5-9H2,1H3,(H2,11,14)
InChIKeyZTHRYMJTOQMKGG-UHFFFAOYSA-N
XLogP-0.33
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.33
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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Related Compounds

Dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide
CID 23514292
(E)-N-[2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl]but-2-enamide
CID 5355529
1-(4-But-2-enoylpiperazin-1-yl)but-2-en-1-one
CID 241645
1-Piperazin-1-ylbut-2-en-1-one
CID 280948
1-(4-Methylpiperazin-1-yl)but-2-en-1-one
CID 1533108
(E)-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 1533109
1-(Piperazin-1-yl)but-2-en-1-one
CID 5875664
(E)-4-(Ethyl(methyl)amino)but-2-enamide
CID 10678354
(E)-4-(Diethylamino)but-2-enamide
CID 10797010
(E)-N-[2-(dimethylamino)ethyl]but-2-enamide
CID 20675064
N-[2-(Dimethylamino)ethyl]but-2-enamide
CID 53724422
N-[2-(diethylamino)ethyl]but-2-enamide
CID 54218541

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)but-2-enamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)but-2-enamide (CID 141030287) is 4-(4-ethylpiperazin-1-yl)but-2-enamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)but-2-enamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)but-2-enamide is CCN1CCN(CC=CC(N)=O)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)but-2-enamide?
The InChIKey is ZTHRYMJTOQMKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-12-6-8-13(9-7-12)5-3-4-10(11)14/h3-4H,2,5-9H2,1H3,(H2,11,14).
What are the key properties of 4-(4-ethylpiperazin-1-yl)but-2-enamide?
4-(4-ethylpiperazin-1-yl)but-2-enamide has a molecular weight of 197.28 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 141030287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).