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

C13H24N2O — CID 12991967

IUPACN-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H24N2O/c1-7-11(16)14-10-8-12(2,3)15(6)13(4,5)9-10/h7,10H,1,8-9H2,2-6H3,(H,14,16)
InChIKeyOOVHLFLYXBKLTN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.94
Rot. Bonds2

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

N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide (PubChem CID 12991967) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide
PubChem CID12991967
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H24N2O/c1-7-11(16)14-10-8-12(2,3)15(6)13(4,5)9-10/h7,10H,1,8-9H2,2-6H3,(H,14,16)
InChIKeyOOVHLFLYXBKLTN-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide (CID 12991967) is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide is C=CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide?
The InChIKey is OOVHLFLYXBKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-7-11(16)14-10-8-12(2,3)15(6)13(4,5)9-10/h7,10H,1,8-9H2,2-6H3,(H,14,16).
What are the key properties of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide?
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide has a molecular weight of 224.35 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 12991967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).