2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide

C14H21F3N4O2 — CID 163357594

IUPAC2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCCN(Cc2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)11(22)18-9-5-4-6-21(7-9)8-10-19-20-12(23-10)14(15,16)17/h9H,4-8H2,1-3H3,(H,18,22)
InChIKeyOOEPNCAHVFFRCN-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.22
Rot. Bonds3

About 2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide

2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide (PubChem CID 163357594) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide
PubChem CID163357594
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCCN(Cc2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)11(22)18-9-5-4-6-21(7-9)8-10-19-20-12(23-10)14(15,16)17/h9H,4-8H2,1-3H3,(H,18,22)
InChIKeyOOEPNCAHVFFRCN-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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide (CID 163357594) is 2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide is CC(C)(C)C(=O)NC1CCCN(Cc2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of 2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide?
The InChIKey is OOEPNCAHVFFRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-13(2,3)11(22)18-9-5-4-6-21(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 2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide?
2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide 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 2,2-dimethyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 163357594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).