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

C12H17F3N4O2 — CID 90540026

IUPACN-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H17F3N4O2/c1-7(2)16-11(20)19-5-3-8(4-6-19)9-17-18-10(21-9)12(13,14)15/h7-8H,3-6H2,1-2H3,(H,16,20)
InChIKeyUJFPKVVWYHGCCQ-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.39
Rot. Bonds2

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

N-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 90540026) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID90540026
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC NameN-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H17F3N4O2/c1-7(2)16-11(20)19-5-3-8(4-6-19)9-17-18-10(21-9)12(13,14)15/h7-8H,3-6H2,1-2H3,(H,16,20)
InChIKeyUJFPKVVWYHGCCQ-UHFFFAOYSA-N
XLogP2.39
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 90540026) is N-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is CC(C)NC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is UJFPKVVWYHGCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-7(2)16-11(20)19-5-3-8(4-6-19)9-17-18-10(21-9)12(13,14)15/h7-8H,3-6H2,1-2H3,(H,16,20).
What are the key properties of N-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90540026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).