1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide

C25H27F3N4O2 — CID 145239567

IUPAC1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)N(Cc2ccc(C3C=NN=C(C(F)(F)F)O3)cc2)c2ccccc2)CC1
InChIInChI=1S/C25H27F3N4O2/c1-2-31-14-12-20(13-15-31)23(33)32(21-6-4-3-5-7-21)17-18-8-10-19(11-9-18)22-16-29-30-24(34-22)25(26,27)28/h3-11,16,20,22H,2,12-15,17H2,1H3
InChIKeyNHFKPQHTCLTBRZ-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.97
Rot. Bonds6

About 1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide

1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 145239567) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is 1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID145239567
Molecular FormulaC25H27F3N4O2
Molecular Weight472.51 g/mol
Exact Mass472.21
IUPAC Name1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)N(Cc2ccc(C3C=NN=C(C(F)(F)F)O3)cc2)c2ccccc2)CC1
InChIInChI=1S/C25H27F3N4O2/c1-2-31-14-12-20(13-15-31)23(33)32(21-6-4-3-5-7-21)17-18-8-10-19(11-9-18)22-16-29-30-24(34-22)25(26,27)28/h3-11,16,20,22H,2,12-15,17H2,1H3
InChIKeyNHFKPQHTCLTBRZ-UHFFFAOYSA-N
XLogP4.97
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide (CID 145239567) is 1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide is CCN1CCC(C(=O)N(Cc2ccc(C3C=NN=C(C(F)(F)F)O3)cc2)c2ccccc2)CC1.
What is the InChIKey of 1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is NHFKPQHTCLTBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c1-2-31-14-12-20(13-15-31)23(33)32(21-6-4-3-5-7-21)17-18-8-10-19(11-9-18)22-16-29-30-24(34-22)25(26,27)28/h3-11,16,20,22H,2,12-15,17H2,1H3.
What are the key properties of 1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide?
1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-6H-1,3,4-oxadiazin-6-yl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 145239567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).