N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

C13H17F3N4O2 — CID 90542136

IUPACN-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)NC1CC1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)12-19-18-11(22-12)8-3-5-20(6-4-8)7-10(21)17-9-1-2-9/h8-9H,1-7H2,(H,17,21)
InChIKeyFVDIZTPCWRBTRF-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.55
Rot. Bonds4

About N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90542136) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90542136
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC NameN-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)NC1CC1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)12-19-18-11(22-12)8-3-5-20(6-4-8)7-10(21)17-9-1-2-9/h8-9H,1-7H2,(H,17,21)
InChIKeyFVDIZTPCWRBTRF-UHFFFAOYSA-N
XLogP1.55
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90542136) is N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is FVDIZTPCWRBTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c14-13(15,16)12-19-18-11(22-12)8-3-5-20(6-4-8)7-10(21)17-9-1-2-9/h8-9H,1-7H2,(H,17,21).
What are the key properties of N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 318.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90542136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).