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

C14H20F3N5O3 — CID 90542192

IUPACN-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCC(C)NC(=O)NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H20F3N5O3/c1-8(2)18-13(24)19-10(23)7-22-5-3-9(4-6-22)11-20-21-12(25-11)14(15,16)17/h8-9H,3-7H2,1-2H3,(H2,18,19,23,24)
InChIKeyCZXFSRAUDIGXDU-UHFFFAOYSA-N
MW363.34 g/mol
LogP1.50
Rot. Bonds4

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

N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90542192) has the molecular formula C14H20F3N5O3 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90542192
Molecular FormulaC14H20F3N5O3
Molecular Weight363.34 g/mol
Exact Mass363.15
IUPAC NameN-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCC(C)NC(=O)NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H20F3N5O3/c1-8(2)18-13(24)19-10(23)7-22-5-3-9(4-6-22)11-20-21-12(25-11)14(15,16)17/h8-9H,3-7H2,1-2H3,(H2,18,19,23,24)
InChIKeyCZXFSRAUDIGXDU-UHFFFAOYSA-N
XLogP1.50
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90542192) is N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is CC(C)NC(=O)NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is CZXFSRAUDIGXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O3/c1-8(2)18-13(24)19-10(23)7-22-5-3-9(4-6-22)11-20-21-12(25-11)14(15,16)17/h8-9H,3-7H2,1-2H3,(H2,18,19,23,24).
What are the key properties of N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 363.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90542192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).