N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate

C12H24N2O2 — CID 139062122

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate
SMILESC=CC(=O)NC1CC(C)(C)NC(C)(C)C1.O
InChIInChI=1S/C12H22N2O.H2O/c1-6-10(15)13-9-7-11(2,3)14-12(4,5)8-9;/h6,9,14H,1,7-8H2,2-5H3,(H,13,15);1H2
InChIKeyFWGOLFMBBXESNS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.77
Rot. Bonds2

About N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate

N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate (PubChem CID 139062122) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate
PubChem CID139062122
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate
SMILESC=CC(=O)NC1CC(C)(C)NC(C)(C)C1.O
InChIInChI=1S/C12H22N2O.H2O/c1-6-10(15)13-9-7-11(2,3)14-12(4,5)8-9;/h6,9,14H,1,7-8H2,2-5H3,(H,13,15);1H2
InChIKeyFWGOLFMBBXESNS-UHFFFAOYSA-N
XLogP0.77
TPSA72.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate 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-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate (CID 139062122) is N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate is C=CC(=O)NC1CC(C)(C)NC(C)(C)C1.O.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate?
The InChIKey is FWGOLFMBBXESNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.H2O/c1-6-10(15)13-9-7-11(2,3)14-12(4,5)8-9;/h6,9,14H,1,7-8H2,2-5H3,(H,13,15);1H2.
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate?
N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate has a molecular weight of 228.34 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide;hydrate is sourced from PubChem (CID 139062122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).