3,3,5,5-tetramethyl-1-propylpiperazin-2-one

C11H22N2O — CID 12580991

IUPAC3,3,5,5-tetramethyl-1-propylpiperazin-2-one
SMILESCCCN1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C11H22N2O/c1-6-7-13-8-10(2,3)12-11(4,5)9(13)14/h12H,6-8H2,1-5H3
InChIKeyXXJDAKYACQABOQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds2

About 3,3,5,5-tetramethyl-1-propylpiperazin-2-one

3,3,5,5-tetramethyl-1-propylpiperazin-2-one (PubChem CID 12580991) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-propylpiperazin-2-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-propylpiperazin-2-one
PubChem CID12580991
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3,3,5,5-tetramethyl-1-propylpiperazin-2-one
SMILESCCCN1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C11H22N2O/c1-6-7-13-8-10(2,3)12-11(4,5)9(13)14/h12H,6-8H2,1-5H3
InChIKeyXXJDAKYACQABOQ-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Piperazinone, 3,3-dimethyl-
CID 211157
N-isopropyl-1-piperazineacetamide
CID 100826
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
3,3,6,6-Tetramethylpiperazine-2,5-dione
CID 225571
N-(tert-butyl)-2-piperazin-1-ylacetamide
CID 2468184
(3R)-3-methylpiperazin-2-one
CID 16213757
2-Methyl-1-(piperazin-1-yl)propan-1-one
CID 2761409
Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate
CID 57657568
N-butyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-propylacetamide
CID 49853581
N-(2-methylbutyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853580
N-butyl-2-piperazin-1-yl-N-propylacetamide
CID 49853676
N-(pentan-3-yl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853777

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-propylpiperazin-2-one?
The IUPAC name of 3,3,5,5-tetramethyl-1-propylpiperazin-2-one (CID 12580991) is 3,3,5,5-tetramethyl-1-propylpiperazin-2-one.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-propylpiperazin-2-one?
The canonical SMILES for 3,3,5,5-tetramethyl-1-propylpiperazin-2-one is CCCN1CC(C)(C)NC(C)(C)C1=O.
What is the InChIKey of 3,3,5,5-tetramethyl-1-propylpiperazin-2-one?
The InChIKey is XXJDAKYACQABOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-6-7-13-8-10(2,3)12-11(4,5)9(13)14/h12H,6-8H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-1-propylpiperazin-2-one?
3,3,5,5-tetramethyl-1-propylpiperazin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.39, 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-propylpiperazin-2-one is sourced from PubChem (CID 12580991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).