3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one

C11H22N2O — CID 12580992

IUPAC3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C11H22N2O/c1-8(2)13-7-10(3,4)12-11(5,6)9(13)14/h8,12H,7H2,1-6H3
InChIKeyJBRBIFOPQWTAKQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.38
Rot. Bonds1

About 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one

3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one (PubChem CID 12580992) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one
PubChem CID12580992
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C11H22N2O/c1-8(2)13-7-10(3,4)12-11(5,6)9(13)14/h8,12H,7H2,1-6H3
InChIKeyJBRBIFOPQWTAKQ-UHFFFAOYSA-N
XLogP1.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
2-Piperazinone, 3,3-dimethyl-
CID 211157
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
N-isopropyl-1-piperazineacetamide
CID 100826
Alanine anhydride, trans-(A+-)-
CID 676438
2-Piperazinone, 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethyl-
CID 15165099
D-Alanine anhydride
CID 676439
N-(tert-butyl)-2-piperazin-1-ylacetamide
CID 2468184
Cyclo(-ala-gly)
CID 7408474
(3R)-3-methylpiperazin-2-one
CID 16213757
2-Methyl-1-(piperazin-1-yl)propan-1-one
CID 2761409

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one (CID 12580992) is 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one is CC(C)N1CC(C)(C)NC(C)(C)C1=O.
What is the InChIKey of 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is JBRBIFOPQWTAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)13-7-10(3,4)12-11(5,6)9(13)14/h8,12H,7H2,1-6H3.
What are the key properties of 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one?
3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.38, 1 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-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 12580992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).