4-ethanimidoyl-3-ethylpiperazin-2-one

C8H15N3O — CID 63603080

IUPAC4-ethanimidoyl-3-ethylpiperazin-2-one
SMILES[H]/N=C(\C)N1CCNC(=O)C1CC
InChIInChI=1S/C8H15N3O/c1-3-7-8(12)10-4-5-11(7)6(2)9/h7,9H,3-5H2,1-2H3,(H,10,12)/b9-6+
InChIKeyPBZPHAGSFNUBSZ-RMKNXTFCSA-N
MW169.23 g/mol
LogP0.19
Rot. Bonds1

About 4-ethanimidoyl-3-ethylpiperazin-2-one

4-ethanimidoyl-3-ethylpiperazin-2-one (PubChem CID 63603080) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-ethanimidoyl-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-ethanimidoyl-3-ethylpiperazin-2-one
PubChem CID63603080
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-ethanimidoyl-3-ethylpiperazin-2-one
SMILES[H]/N=C(\C)N1CCNC(=O)C1CC
InChIInChI=1S/C8H15N3O/c1-3-7-8(12)10-4-5-11(7)6(2)9/h7,9H,3-5H2,1-2H3,(H,10,12)/b9-6+
InChIKeyPBZPHAGSFNUBSZ-RMKNXTFCSA-N
XLogP0.19
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-ethanimidoyl-3-ethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one
CID 63603253
N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide
CID 83036781
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
2-ethyl-N-methyl-3-oxopiperazine-1-carbothioamide
CID 115617005
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid
CID 55217318
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one
CID 63602423
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581

Frequently Asked Questions

What is the IUPAC name of 4-ethanimidoyl-3-ethylpiperazin-2-one?
The IUPAC name of 4-ethanimidoyl-3-ethylpiperazin-2-one (CID 63603080) is 4-ethanimidoyl-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-ethanimidoyl-3-ethylpiperazin-2-one?
The canonical SMILES for 4-ethanimidoyl-3-ethylpiperazin-2-one is [H]/N=C(\C)N1CCNC(=O)C1CC.
What is the InChIKey of 4-ethanimidoyl-3-ethylpiperazin-2-one?
The InChIKey is PBZPHAGSFNUBSZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-7-8(12)10-4-5-11(7)6(2)9/h7,9H,3-5H2,1-2H3,(H,10,12)/b9-6+.
What are the key properties of 4-ethanimidoyl-3-ethylpiperazin-2-one?
4-ethanimidoyl-3-ethylpiperazin-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoyl-3-ethylpiperazin-2-one is sourced from PubChem (CID 63603080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).