2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide

C18H20F3N3O2 — CID 171904122

IUPAC2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESC=CCc1cc(NC(=O)C2CCC(C(F)(F)F)NC2=O)cc(/C=C/C)n1
InChIInChI=1S/C18H20F3N3O2/c1-3-5-11-9-13(10-12(22-11)6-4-2)23-16(25)14-7-8-15(18(19,20)21)24-17(14)26/h3-4,6,9-10,14-15H,1,5,7-8H2,2H3,(H,24,26)(H,22,23,25)/b6-4+
InChIKeySWSDPAHGYJGKTC-GQCTYLIASA-N
MW367.37 g/mol
LogP3.24
Rot. Bonds5

About 2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide

2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171904122) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171904122
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESC=CCc1cc(NC(=O)C2CCC(C(F)(F)F)NC2=O)cc(/C=C/C)n1
InChIInChI=1S/C18H20F3N3O2/c1-3-5-11-9-13(10-12(22-11)6-4-2)23-16(25)14-7-8-15(18(19,20)21)24-17(14)26/h3-4,6,9-10,14-15H,1,5,7-8H2,2H3,(H,24,26)(H,22,23,25)/b6-4+
InChIKeySWSDPAHGYJGKTC-GQCTYLIASA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171904122) is 2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide is C=CCc1cc(NC(=O)C2CCC(C(F)(F)F)NC2=O)cc(/C=C/C)n1.
What is the InChIKey of 2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is SWSDPAHGYJGKTC-GQCTYLIASA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-3-5-11-9-13(10-12(22-11)6-4-2)23-16(25)14-7-8-15(18(19,20)21)24-17(14)26/h3-4,6,9-10,14-15H,1,5,7-8H2,2H3,(H,24,26)(H,22,23,25)/b6-4+.
What are the key properties of 2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171904122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).