N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide

C12H17F3N2O2 — CID 167773935

IUPACN-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-3-10(18)16(2)8-11(19)17-7-5-4-6-9(17)12(13,14)15/h3,9H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyPJSSVLBAEXTXCJ-SECBINFHSA-N
MW278.27 g/mol
LogP1.57
Rot. Bonds3

About N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide

N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide (PubChem CID 167773935) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide
PubChem CID167773935
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC NameN-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-3-10(18)16(2)8-11(19)17-7-5-4-6-9(17)12(13,14)15/h3,9H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyPJSSVLBAEXTXCJ-SECBINFHSA-N
XLogP1.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.57
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-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide (CID 167773935) is N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)N1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide?
The InChIKey is PJSSVLBAEXTXCJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-3-10(18)16(2)8-11(19)17-7-5-4-6-9(17)12(13,14)15/h3,9H,1,4-8H2,2H3/t9-/m1/s1.
What are the key properties of N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide?
N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide has a molecular weight of 278.27 g/mol, XLogP of 1.57, 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-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 167773935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).