N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide

C9H11F3N2O2 — CID 175270407

IUPACN-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide
SMILESC=CC(=O)NN1CCCC(C(F)(F)F)C1=O
InChIInChI=1S/C9H11F3N2O2/c1-2-7(15)13-14-5-3-4-6(8(14)16)9(10,11)12/h2,6H,1,3-5H2,(H,13,15)
InChIKeyUUYWUWJBOJFIOQ-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.00
Rot. Bonds2

About N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide

N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide (PubChem CID 175270407) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide
PubChem CID175270407
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC NameN-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide
SMILESC=CC(=O)NN1CCCC(C(F)(F)F)C1=O
InChIInChI=1S/C9H11F3N2O2/c1-2-7(15)13-14-5-3-4-6(8(14)16)9(10,11)12/h2,6H,1,3-5H2,(H,13,15)
InChIKeyUUYWUWJBOJFIOQ-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.00
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-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide?
The IUPAC name of N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide (CID 175270407) is N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide.
What is the SMILES notation for N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide?
The canonical SMILES for N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide is C=CC(=O)NN1CCCC(C(F)(F)F)C1=O.
What is the InChIKey of N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide?
The InChIKey is UUYWUWJBOJFIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-2-7(15)13-14-5-3-4-6(8(14)16)9(10,11)12/h2,6H,1,3-5H2,(H,13,15).
What are the key properties of N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide?
N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide has a molecular weight of 236.19 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide is sourced from PubChem (CID 175270407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).