N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide

C16H30N2O — CID 54167766

IUPACN-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide
SMILESCC=CC(=O)NC1CC(C)(CC)NC(C)(CC)C1C
InChIInChI=1S/C16H30N2O/c1-7-10-14(19)17-13-11-15(5,8-2)18-16(6,9-3)12(13)4/h7,10,12-13,18H,8-9,11H2,1-6H3,(H,17,19)
InChIKeyOSVPWCTYSNTROU-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.01
Rot. Bonds4

About N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide

N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide (PubChem CID 54167766) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide.

Molecular Properties

Compound NameN-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide
PubChem CID54167766
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide
SMILESCC=CC(=O)NC1CC(C)(CC)NC(C)(CC)C1C
InChIInChI=1S/C16H30N2O/c1-7-10-14(19)17-13-11-15(5,8-2)18-16(6,9-3)12(13)4/h7,10,12-13,18H,8-9,11H2,1-6H3,(H,17,19)
InChIKeyOSVPWCTYSNTROU-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-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-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide?
The IUPAC name of N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide (CID 54167766) is N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide.
What is the SMILES notation for N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide?
The canonical SMILES for N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide is CC=CC(=O)NC1CC(C)(CC)NC(C)(CC)C1C.
What is the InChIKey of N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide?
The InChIKey is OSVPWCTYSNTROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-7-10-14(19)17-13-11-15(5,8-2)18-16(6,9-3)12(13)4/h7,10,12-13,18H,8-9,11H2,1-6H3,(H,17,19).
What are the key properties of N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide?
N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide has a molecular weight of 266.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide is sourced from PubChem (CID 54167766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).