4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide

C15H31N5O — CID 110963139

IUPAC4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCN(CC)CC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H31N5O/c1-5-16-15(17-8-9-18(6-2)7-3)20-12-10-19(11-13-20)14(4)21/h5-13H2,1-4H3,(H,16,17)
InChIKeyNLHVVTZNECLETP-UHFFFAOYSA-N
MW297.45 g/mol
LogP0.46
Rot. Bonds6

About 4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide

4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide (PubChem CID 110963139) has the molecular formula C15H31N5O and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide
PubChem CID110963139
Molecular FormulaC15H31N5O
Molecular Weight297.45 g/mol
Exact Mass297.25
IUPAC Name4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCN(CC)CC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H31N5O/c1-5-16-15(17-8-9-18(6-2)7-3)20-12-10-19(11-13-20)14(4)21/h5-13H2,1-4H3,(H,16,17)
InChIKeyNLHVVTZNECLETP-UHFFFAOYSA-N
XLogP0.46
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide (CID 110963139) is 4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide is CCN/C(=N\CCN(CC)CC)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide?
The InChIKey is NLHVVTZNECLETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O/c1-5-16-15(17-8-9-18(6-2)7-3)20-12-10-19(11-13-20)14(4)21/h5-13H2,1-4H3,(H,16,17).
What are the key properties of 4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide?
4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide has a molecular weight of 297.45 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 110963139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).