N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

C17H19F3N4O4 — CID 90540009

IUPACN-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1OC
InChIInChI=1S/C17H19F3N4O4/c1-26-12-4-3-11(9-13(12)27-2)21-16(25)24-7-5-10(6-8-24)14-22-23-15(28-14)17(18,19)20/h3-4,9-10H,5-8H2,1-2H3,(H,21,25)
InChIKeyDUFLCYKDBKBXSP-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.52
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 90540009) has the molecular formula C17H19F3N4O4 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID90540009
Molecular FormulaC17H19F3N4O4
Molecular Weight400.36 g/mol
Exact Mass400.14
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1OC
InChIInChI=1S/C17H19F3N4O4/c1-26-12-4-3-11(9-13(12)27-2)21-16(25)24-7-5-10(6-8-24)14-22-23-15(28-14)17(18,19)20/h3-4,9-10H,5-8H2,1-2H3,(H,21,25)
InChIKeyDUFLCYKDBKBXSP-UHFFFAOYSA-N
XLogP3.52
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzoate
CID 90539808
N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540275
N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540277
N-(3,5-dimethylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540294
5-[1-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376472
(3,5-dimethylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539839
cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 71792951
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 5161698
N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168491
N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 90542157
(3-methoxy-2-methylindazol-6-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539997
2-[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542567

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 90540009) is N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is DUFLCYKDBKBXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O4/c1-26-12-4-3-11(9-13(12)27-2)21-16(25)24-7-5-10(6-8-24)14-22-23-15(28-14)17(18,19)20/h3-4,9-10H,5-8H2,1-2H3,(H,21,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90540009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).