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

C14H21F3N4O2 — CID 166603104

IUPACN-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(Cc2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)18-11(22)9-5-4-6-21(7-9)8-10-19-20-12(23-10)14(15,16)17/h9H,4-8H2,1-3H3,(H,18,22)
InChIKeyVKQOUKKNBAZOJP-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.22
Rot. Bonds3

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

N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 166603104) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
PubChem CID166603104
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC NameN-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(Cc2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)18-11(22)9-5-4-6-21(7-9)8-10-19-20-12(23-10)14(15,16)17/h9H,4-8H2,1-3H3,(H,18,22)
InChIKeyVKQOUKKNBAZOJP-UHFFFAOYSA-N
XLogP2.22
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 172893555
N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 166600679
N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 172880763
ethyl (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate
CID 81338403
N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171335579
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032224
(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94114626
1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 166216793

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide (CID 166603104) is N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(Cc2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is VKQOUKKNBAZOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-13(2,3)18-11(22)9-5-4-6-21(7-9)8-10-19-20-12(23-10)14(15,16)17/h9H,4-8H2,1-3H3,(H,18,22).
What are the key properties of N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?
N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 166603104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).