N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide

C13H24N2O — CID 174834679

IUPACN-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide
SMILESC=CC(=O)N(C)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H24N2O/c1-7-11(16)14(6)15-12(2,3)9-8-10-13(15,4)5/h7H,1,8-10H2,2-6H3
InChIKeyKOIULLJUOMVMKN-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.59
Rot. Bonds2

About N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide

N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide (PubChem CID 174834679) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide
PubChem CID174834679
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide
SMILESC=CC(=O)N(C)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H24N2O/c1-7-11(16)14(6)15-12(2,3)9-8-10-13(15,4)5/h7H,1,8-10H2,2-6H3
InChIKeyKOIULLJUOMVMKN-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
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-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide (CID 174834679) is N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide is C=CC(=O)N(C)N1C(C)(C)CCCC1(C)C.
What is the InChIKey of N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide?
The InChIKey is KOIULLJUOMVMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-7-11(16)14(6)15-12(2,3)9-8-10-13(15,4)5/h7H,1,8-10H2,2-6H3.
What are the key properties of N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide?
N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide has a molecular weight of 224.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 174834679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).