N-(4-ethylpiperazin-1-yl)prop-2-enamide

C9H17N3O — CID 175942150

IUPACN-(4-ethylpiperazin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CCN(CC)CC1
InChIInChI=1S/C9H17N3O/c1-3-9(13)10-12-7-5-11(4-2)6-8-12/h3H,1,4-8H2,2H3,(H,10,13)
InChIKeyZVYNXXMBOJKFHQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.16
Rot. Bonds3

About N-(4-ethylpiperazin-1-yl)prop-2-enamide

N-(4-ethylpiperazin-1-yl)prop-2-enamide (PubChem CID 175942150) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(4-ethylpiperazin-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-ethylpiperazin-1-yl)prop-2-enamide
PubChem CID175942150
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(4-ethylpiperazin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CCN(CC)CC1
InChIInChI=1S/C9H17N3O/c1-3-9(13)10-12-7-5-11(4-2)6-8-12/h3H,1,4-8H2,2H3,(H,10,13)
InChIKeyZVYNXXMBOJKFHQ-UHFFFAOYSA-N
XLogP-0.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.16
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

N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 13628884
N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide
CID 18678965
Dimethyl-(prop-2-enoylamino)-propylazanium
CID 54001668
N-piperazin-1-ylprop-2-enamide
CID 54213094
4-[4-(4-Hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
CID 69094618
Diethyl-(prop-2-enoylamino)-propylazanium
CID 87994834
Diethyl-(prop-2-enoylamino)-propylazanium chloride
CID 88664389
N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide
CID 123958058
2-[2-(dimethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 138715539
Triethyl-(prop-2-enoylamino)azanium chloride
CID 140003556
(E)-4-(4-methylpiperazin-1-yl)but-2-enehydrazide
CID 144832735
1-[4-[Methyl(methylamino)amino]piperazin-1-yl]prop-2-en-1-one
CID 146389480

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylpiperazin-1-yl)prop-2-enamide?
The IUPAC name of N-(4-ethylpiperazin-1-yl)prop-2-enamide (CID 175942150) is N-(4-ethylpiperazin-1-yl)prop-2-enamide.
What is the SMILES notation for N-(4-ethylpiperazin-1-yl)prop-2-enamide?
The canonical SMILES for N-(4-ethylpiperazin-1-yl)prop-2-enamide is C=CC(=O)NN1CCN(CC)CC1.
What is the InChIKey of N-(4-ethylpiperazin-1-yl)prop-2-enamide?
The InChIKey is ZVYNXXMBOJKFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-9(13)10-12-7-5-11(4-2)6-8-12/h3H,1,4-8H2,2H3,(H,10,13).
What are the key properties of N-(4-ethylpiperazin-1-yl)prop-2-enamide?
N-(4-ethylpiperazin-1-yl)prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylpiperazin-1-yl)prop-2-enamide is sourced from PubChem (CID 175942150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).