3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one

C13H27N3O — CID 67926945

IUPAC3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one
SMILESCCCNCCN1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C13H27N3O/c1-6-7-14-8-9-16-10-12(2,3)15-13(4,5)11(16)17/h14-15H,6-10H2,1-5H3
InChIKeyWVZCGFNSKKNRJA-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds5

About 3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one

3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one (PubChem CID 67926945) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one
PubChem CID67926945
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one
SMILESCCCNCCN1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C13H27N3O/c1-6-7-14-8-9-16-10-12(2,3)15-13(4,5)11(16)17/h14-15H,6-10H2,1-5H3
InChIKeyWVZCGFNSKKNRJA-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one?
The IUPAC name of 3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one (CID 67926945) is 3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one?
The canonical SMILES for 3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one is CCCNCCN1CC(C)(C)NC(C)(C)C1=O.
What is the InChIKey of 3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one?
The InChIKey is WVZCGFNSKKNRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-7-14-8-9-16-10-12(2,3)15-13(4,5)11(16)17/h14-15H,6-10H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one?
3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one has a molecular weight of 241.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one is sourced from PubChem (CID 67926945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).