N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide

C16H26N2O2 — CID 90760792

IUPACN-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide
SMILESC=CC(=O)N(C)C1CC(C)(C)N(C(=O)C=C)C(C)(C)C1
InChIInChI=1S/C16H26N2O2/c1-8-13(19)17(7)12-10-15(3,4)18(14(20)9-2)16(5,6)11-12/h8-9,12H,1-2,10-11H2,3-7H3
InChIKeyIBTRNACAXPYFHL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide

N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide (PubChem CID 90760792) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide
PubChem CID90760792
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide
SMILESC=CC(=O)N(C)C1CC(C)(C)N(C(=O)C=C)C(C)(C)C1
InChIInChI=1S/C16H26N2O2/c1-8-13(19)17(7)12-10-15(3,4)18(14(20)9-2)16(5,6)11-12/h8-9,12H,1-2,10-11H2,3-7H3
InChIKeyIBTRNACAXPYFHL-UHFFFAOYSA-N
XLogP2.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.37
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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Related Compounds

CID 140670847
CID 140670847
bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate
CID 141308414
N-methyl-N-piperidin-3-ylprop-2-enamide
CID 63643523
N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide
CID 122605810
N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 178118916
N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide
CID 174834679
1-(2,2-dimethylpiperidin-1-yl)prop-2-en-1-one
CID 123423151
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 166415254
N-(1-hydroxy-2,2-dimethylpiperidin-4-yl)-N-methylacetamide
CID 142013410
N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide
CID 163301836
N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 89408888

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide (CID 90760792) is N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide is C=CC(=O)N(C)C1CC(C)(C)N(C(=O)C=C)C(C)(C)C1.
What is the InChIKey of N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide?
The InChIKey is IBTRNACAXPYFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-8-13(19)17(7)12-10-15(3,4)18(14(20)9-2)16(5,6)11-12/h8-9,12H,1-2,10-11H2,3-7H3.
What are the key properties of N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide?
N-methyl-N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide has a molecular weight of 278.40 g/mol, XLogP of 2.37, 3 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-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 90760792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).