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

C12H17F3N4O3 — CID 71792987

IUPACN-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H17F3N4O3/c1-21-7-4-16-11(20)19-5-2-8(3-6-19)9-17-18-10(22-9)12(13,14)15/h8H,2-7H2,1H3,(H,16,20)
InChIKeySLMVFKOPPUSBNK-UHFFFAOYSA-N
MW322.29 g/mol
LogP1.62
Rot. Bonds4

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

N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 71792987) has the molecular formula C12H17F3N4O3 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID71792987
Molecular FormulaC12H17F3N4O3
Molecular Weight322.29 g/mol
Exact Mass322.13
IUPAC NameN-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H17F3N4O3/c1-21-7-4-16-11(20)19-5-2-8(3-6-19)9-17-18-10(22-9)12(13,14)15/h8H,2-7H2,1H3,(H,16,20)
InChIKeySLMVFKOPPUSBNK-UHFFFAOYSA-N
XLogP1.62
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 71792987) is N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is COCCNC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is SLMVFKOPPUSBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O3/c1-21-7-4-16-11(20)19-5-2-8(3-6-19)9-17-18-10(22-9)12(13,14)15/h8H,2-7H2,1H3,(H,16,20).
What are the key properties of N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71792987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).