N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C14H19F3N4O3 — CID 110368331

IUPACN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C14H19F3N4O3/c1-8(2)12-20-19-10(24-12)7-18-11(22)9-3-5-21(6-4-9)13(23)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,22)
InChIKeyAOCXMRHDIFDCQB-UHFFFAOYSA-N
MW348.33 g/mol
LogP1.61
Rot. Bonds4

About N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110368331) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110368331
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC NameN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C14H19F3N4O3/c1-8(2)12-20-19-10(24-12)7-18-11(22)9-3-5-21(6-4-9)13(23)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,22)
InChIKeyAOCXMRHDIFDCQB-UHFFFAOYSA-N
XLogP1.61
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110368331) is N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CC(C)c1nnc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1.
What is the InChIKey of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is AOCXMRHDIFDCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O3/c1-8(2)12-20-19-10(24-12)7-18-11(22)9-3-5-21(6-4-9)13(23)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,22).
What are the key properties of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110368331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).