2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide

C16H27N3O2 — CID 139944538

IUPAC2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide
SMILESC=C(C)C(=O)NN1CC(C)(C)N(C(=O)C(=C)C)C(C)(C)C1
InChIInChI=1S/C16H27N3O2/c1-11(2)13(20)17-18-9-15(5,6)19(14(21)12(3)4)16(7,8)10-18/h1,3,9-10H2,2,4-8H3,(H,17,20)
InChIKeyGLJGEZXDRXWWGU-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.87
Rot. Bonds3

About 2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide

2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide (PubChem CID 139944538) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide
PubChem CID139944538
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide
SMILESC=C(C)C(=O)NN1CC(C)(C)N(C(=O)C(=C)C)C(C)(C)C1
InChIInChI=1S/C16H27N3O2/c1-11(2)13(20)17-18-9-15(5,6)19(14(21)12(3)4)16(7,8)10-18/h1,3,9-10H2,2,4-8H3,(H,17,20)
InChIKeyGLJGEZXDRXWWGU-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide (CID 139944538) is 2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide is C=C(C)C(=O)NN1CC(C)(C)N(C(=O)C(=C)C)C(C)(C)C1.
What is the InChIKey of 2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide?
The InChIKey is GLJGEZXDRXWWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)13(20)17-18-9-15(5,6)19(14(21)12(3)4)16(7,8)10-18/h1,3,9-10H2,2,4-8H3,(H,17,20).
What are the key properties of 2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide?
2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide has a molecular weight of 293.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide is sourced from PubChem (CID 139944538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).