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

C12H23N3O — CID 139944536

IUPAC2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
SMILESC=C(C)C(=O)NN1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H23N3O/c1-9(2)10(16)13-15-7-11(3,4)14-12(5,6)8-15/h14H,1,7-8H2,2-6H3,(H,13,16)
InChIKeyDYQISNRXPRJNLF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.06
Rot. Bonds2

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

2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide (PubChem CID 139944536) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
PubChem CID139944536
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
SMILESC=C(C)C(=O)NN1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H23N3O/c1-9(2)10(16)13-15-7-11(3,4)14-12(5,6)8-15/h14H,1,7-8H2,2-6H3,(H,13,16)
InChIKeyDYQISNRXPRJNLF-UHFFFAOYSA-N
XLogP1.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.06
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

2-methyl-N-piperazin-1-ylprop-2-enamide
CID 20037672
2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
CID 139944535
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-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
CID 150213116
N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide
CID 151497719
N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
CID 156139048
2-methyl-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 174676118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide (CID 139944536) is 2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide is C=C(C)C(=O)NN1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide?
The InChIKey is DYQISNRXPRJNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)10(16)13-15-7-11(3,4)14-12(5,6)8-15/h14H,1,7-8H2,2-6H3,(H,13,16).
What are the key properties of 2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide?
2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide has a molecular weight of 225.34 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide is sourced from PubChem (CID 139944536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).