2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide

C17H31N3O — CID 64979190

IUPAC2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CC(CC)NCC1CC
InChIInChI=1S/C17H31N3O/c1-6-14-12-20(15(7-2)11-18-14)13-16(21)19-17(8-3,9-4)10-5/h3,14-15,18H,6-7,9-13H2,1-2,4-5H3,(H,19,21)
InChIKeyQPFVQTDDCVETSG-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.76
Rot. Bonds7

About 2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide

2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide (PubChem CID 64979190) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
PubChem CID64979190
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CC(CC)NCC1CC
InChIInChI=1S/C17H31N3O/c1-6-14-12-20(15(7-2)11-18-14)13-16(21)19-17(8-3,9-4)10-5/h3,14-15,18H,6-7,9-13H2,1-2,4-5H3,(H,19,21)
InChIKeyQPFVQTDDCVETSG-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
The IUPAC name of 2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide (CID 64979190) is 2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
The canonical SMILES for 2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide is C#CC(CC)(CC)NC(=O)CN1CC(CC)NCC1CC.
What is the InChIKey of 2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
The InChIKey is QPFVQTDDCVETSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-14-12-20(15(7-2)11-18-14)13-16(21)19-17(8-3,9-4)10-5/h3,14-15,18H,6-7,9-13H2,1-2,4-5H3,(H,19,21).
What are the key properties of 2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide has a molecular weight of 293.45 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide is sourced from PubChem (CID 64979190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).