2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide

C13H25N3O — CID 139944535

IUPAC2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
SMILESC=C(C)C(=O)NN1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H25N3O/c1-10(2)11(17)14-16-8-12(3,4)15(7)13(5,6)9-16/h1,8-9H2,2-7H3,(H,14,17)
InChIKeyJCZDULRXPYNIOY-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.40
Rot. Bonds2

About 2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide

2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide (PubChem CID 139944535) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
PubChem CID139944535
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
SMILESC=C(C)C(=O)NN1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H25N3O/c1-10(2)11(17)14-16-8-12(3,4)15(7)13(5,6)9-16/h1,8-9H2,2-7H3,(H,14,17)
InChIKeyJCZDULRXPYNIOY-UHFFFAOYSA-N
XLogP1.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propenamide, 2-methyl-N-1-piperidinyl-
CID 11557354
Triethyl-(2-methylprop-2-enoylamino)azanium
CID 19788941
2-methyl-N-piperazin-1-ylprop-2-enamide
CID 20037672
Dimethyl-(2-methylprop-2-enoylamino)-propylazanium
CID 21751389
Diethyl-(2-methylprop-2-enoylamino)-propylazanium
CID 53763599
2-methyl-N'-propan-2-yl-N'-propylprop-2-enehydrazide
CID 53924588
2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
CID 139944536
2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide
CID 139944538
(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide
CID 139944539
2-methyl-N-[4-(2-methylprop-2-enoylamino)piperazin-1-yl]prop-2-enamide
CID 140055856
N'-ethyl-2-methyl-N'-propylprop-2-enehydrazide
CID 150112536
N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
CID 150213116

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide (CID 139944535) is 2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide is C=C(C)C(=O)NN1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide?
The InChIKey is JCZDULRXPYNIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)11(17)14-16-8-12(3,4)15(7)13(5,6)9-16/h1,8-9H2,2-7H3,(H,14,17).
What are the key properties of 2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide?
2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide has a molecular weight of 239.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide is sourced from PubChem (CID 139944535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).