3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one

C16H32N2O — CID 19606678

IUPAC3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one
SMILESCC(C)(C)CC(C)(C)N1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C16H32N2O/c1-13(2,3)10-15(6,7)18-11-14(4,5)17-16(8,9)12(18)19/h17H,10-11H2,1-9H3
InChIKeyASNXYQWNXKRVEJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.19
Rot. Bonds2

About 3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one

3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one (PubChem CID 19606678) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one
PubChem CID19606678
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one
SMILESCC(C)(C)CC(C)(C)N1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C16H32N2O/c1-13(2,3)10-15(6,7)18-11-14(4,5)17-16(8,9)12(18)19/h17H,10-11H2,1-9H3
InChIKeyASNXYQWNXKRVEJ-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one?
The IUPAC name of 3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one (CID 19606678) is 3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one?
The canonical SMILES for 3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one is CC(C)(C)CC(C)(C)N1CC(C)(C)NC(C)(C)C1=O.
What is the InChIKey of 3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one?
The InChIKey is ASNXYQWNXKRVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2,3)10-15(6,7)18-11-14(4,5)17-16(8,9)12(18)19/h17H,10-11H2,1-9H3.
What are the key properties of 3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one?
3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one has a molecular weight of 268.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one is sourced from PubChem (CID 19606678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).