N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide

C30H48N4O4 — CID 139082225

IUPACN-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CC(C)(C)N(C(=O)C=C)C(C)(C)C1.C=CC(=O)NC1CC(C)(C)N(C(=O)C=C)C(C)(C)C1
InChIInChI=1S/2C15H24N2O2/c2*1-7-12(18)16-11-9-14(3,4)17(13(19)8-2)15(5,6)10-11/h2*7-8,11H,1-2,9-10H2,3-6H3,(H,16,18)
InChIKeyAHUDZBGZFZKLQJ-UHFFFAOYSA-N
MW528.74 g/mol
LogP4.05
Rot. Bonds6

About N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide

N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide (PubChem CID 139082225) has the molecular formula C30H48N4O4 and a molecular weight of 528.74 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide
PubChem CID139082225
Molecular FormulaC30H48N4O4
Molecular Weight528.74 g/mol
Exact Mass528.37
IUPAC NameN-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CC(C)(C)N(C(=O)C=C)C(C)(C)C1.C=CC(=O)NC1CC(C)(C)N(C(=O)C=C)C(C)(C)C1
InChIInChI=1S/2C15H24N2O2/c2*1-7-12(18)16-11-9-14(3,4)17(13(19)8-2)15(5,6)10-11/h2*7-8,11H,1-2,9-10H2,3-6H3,(H,16,18)
InChIKeyAHUDZBGZFZKLQJ-UHFFFAOYSA-N
XLogP4.05
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.74
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide (CID 139082225) is N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide is C=CC(=O)NC1CC(C)(C)N(C(=O)C=C)C(C)(C)C1.C=CC(=O)NC1CC(C)(C)N(C(=O)C=C)C(C)(C)C1.
What is the InChIKey of N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide?
The InChIKey is AHUDZBGZFZKLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24N2O2/c2*1-7-12(18)16-11-9-14(3,4)17(13(19)8-2)15(5,6)10-11/h2*7-8,11H,1-2,9-10H2,3-6H3,(H,16,18).
What are the key properties of N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide?
N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide has a molecular weight of 528.74 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 139082225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).