N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C18H24F3N3O2 — CID 171904127

IUPACN-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCCCc1cc(NC(=O)C2CCC(C(F)(F)F)NC2=O)cc(CCC)n1
InChIInChI=1S/C18H24F3N3O2/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/h9-10,14-15H,3-8H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyXNKLYGLERJOLKF-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.38
Rot. Bonds6

About N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171904127) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171904127
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCCCc1cc(NC(=O)C2CCC(C(F)(F)F)NC2=O)cc(CCC)n1
InChIInChI=1S/C18H24F3N3O2/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/h9-10,14-15H,3-8H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyXNKLYGLERJOLKF-UHFFFAOYSA-N
XLogP3.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171904127) is N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is CCCc1cc(NC(=O)C2CCC(C(F)(F)F)NC2=O)cc(CCC)n1.
What is the InChIKey of N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is XNKLYGLERJOLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/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/h9-10,14-15H,3-8H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171904127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).