N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide

C11H21N3O — CID 151497719

IUPACN-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1C(C)(C)CNCC1(C)C
InChIInChI=1S/C11H21N3O/c1-6-9(15)13-14-10(2,3)7-12-8-11(14,4)5/h6,12H,1,7-8H2,2-5H3,(H,13,15)
InChIKeyPPTJZGIKHRRVBY-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.67
Rot. Bonds2

About N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide

N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide (PubChem CID 151497719) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide
PubChem CID151497719
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1C(C)(C)CNCC1(C)C
InChIInChI=1S/C11H21N3O/c1-6-9(15)13-14-10(2,3)7-12-8-11(14,4)5/h6,12H,1,7-8H2,2-5H3,(H,13,15)
InChIKeyPPTJZGIKHRRVBY-UHFFFAOYSA-N
XLogP0.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 13628884
N-piperazin-1-ylprop-2-enamide
CID 54213094
2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
CID 139944536
(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide
CID 139944539
N-(2,2-dimethylpiperazin-1-yl)acetamide
CID 143660993
N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
CID 150213116
N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
CID 156139048
2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide
CID 171816274
N-[1-(methylamino)piperidin-3-yl]prop-2-enamide
CID 172623689
Trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride
CID 174796027
N-(4-ethylpiperazin-1-yl)prop-2-enamide
CID 175942150
2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione
CID 61387004

Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide (CID 151497719) is N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide is C=CC(=O)NN1C(C)(C)CNCC1(C)C.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide?
The InChIKey is PPTJZGIKHRRVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-6-9(15)13-14-10(2,3)7-12-8-11(14,4)5/h6,12H,1,7-8H2,2-5H3,(H,13,15).
What are the key properties of N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide?
N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide has a molecular weight of 211.31 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide is sourced from PubChem (CID 151497719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).