N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C19H20F3N3O3 — CID 24793278

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)no1
InChIInChI=1S/C19H20F3N3O3/c1-12-7-16(24-28-12)9-23-18(27)14-5-6-17(26)25(11-14)10-13-3-2-4-15(8-13)19(20,21)22/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,23,27)
InChIKeyUYRUKRQPJMXDRQ-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.06
Rot. Bonds5

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24793278) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24793278
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)no1
InChIInChI=1S/C19H20F3N3O3/c1-12-7-16(24-28-12)9-23-18(27)14-5-6-17(26)25(11-14)10-13-3-2-4-15(8-13)19(20,21)22/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,23,27)
InChIKeyUYRUKRQPJMXDRQ-UHFFFAOYSA-N
XLogP3.06
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24793278) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is Cc1cc(CNC(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is UYRUKRQPJMXDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-12-7-16(24-28-12)9-23-18(27)14-5-6-17(26)25(11-14)10-13-3-2-4-15(8-13)19(20,21)22/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,23,27).
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).