N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide

C15H28N2O — CID 12991971

IUPACN-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CC(C)(CC)N(C)C(C)(CC)C1
InChIInChI=1S/C15H28N2O/c1-7-13(18)16-12-10-14(4,8-2)17(6)15(5,9-3)11-12/h7,12H,1,8-11H2,2-6H3,(H,16,18)
InChIKeyPCTVTZDQARWOIS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.72
Rot. Bonds4

About N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide

N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide (PubChem CID 12991971) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide
PubChem CID12991971
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CC(C)(CC)N(C)C(C)(CC)C1
InChIInChI=1S/C15H28N2O/c1-7-13(18)16-12-10-14(4,8-2)17(6)15(5,9-3)11-12/h7,12H,1,8-11H2,2-6H3,(H,16,18)
InChIKeyPCTVTZDQARWOIS-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,6,6-Tetramethylpiperidin-4-yl)methacrylamide
CID 17995532
1-(2,2,6,6-Tetramethylpiperidin-4-yl)-1H-pyrrole-2,5-dione
CID 3019932
n-(2,2,6,6-Tetramethylpiperidin-4-yl)acrylamide
CID 14697357
N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide
CID 66599463
2-Propenamide, N-(1-cyclohexylethyl)-
CID 541857
N-(2,2,6,6-Tetramethylpiperidin-4-yl)acrylamide monohydrate
CID 139062122
N-(1-Acryloyl-2,2,6,6-tetramethylpiperidin-4-yl)acrylamide
CID 139082225
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide
CID 914735
N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide
CID 7241619
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide
CID 12991967
N-(1,2,2,4,6,6-Hexamethyl-4-piperidinyl)-2-propenamide
CID 12991972
N-(2,8-dimethylnonan-5-yl)prop-2-enamide
CID 14457396

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide (CID 12991971) is N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide is C=CC(=O)NC1CC(C)(CC)N(C)C(C)(CC)C1.
What is the InChIKey of N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide?
The InChIKey is PCTVTZDQARWOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-7-13(18)16-12-10-14(4,8-2)17(6)15(5,9-3)11-12/h7,12H,1,8-11H2,2-6H3,(H,16,18).
What are the key properties of N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide?
N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide has a molecular weight of 252.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 12991971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).