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

C14H19F3N4O3 — CID 128970069

IUPACN-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCCCC1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C14H19F3N4O3/c1-8(18-9(2)22)13(23)21-6-4-3-5-10(21)12-20-19-11(24-12)7-14(15,16)17/h8,10H,3-7H2,1-2H3,(H,18,22)
InChIKeyHDQGWPLLRGBBEE-UHFFFAOYSA-N
MW348.33 g/mol
LogP1.75
Rot. Bonds4

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

N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide (PubChem CID 128970069) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide
PubChem CID128970069
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC NameN-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCCCC1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C14H19F3N4O3/c1-8(18-9(2)22)13(23)21-6-4-3-5-10(21)12-20-19-11(24-12)7-14(15,16)17/h8,10H,3-7H2,1-2H3,(H,18,22)
InChIKeyHDQGWPLLRGBBEE-UHFFFAOYSA-N
XLogP1.75
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

JL-Mono-GK-DP
CID 16129568
N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propanamide
CID 45826491
Dimethyl({[5-(piperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl})amine
CID 82673192
2-[(2S)-piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
CID 100654445
1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine
CID 128991945
N-[(1S)-5-amino-1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]pentyl]piperidine-4-carboxamide
CID 16066653
2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole
CID 175746199
2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole
CID 175746312
2-methyl-5-[(4S,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole
CID 176677355
2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole
CID 176677371
2-[(2R)-piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
CID 100654456
cyclopropyl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 100657842

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide (CID 128970069) is N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide is CC(=O)NC(C)C(=O)N1CCCCC1c1nnc(CC(F)(F)F)o1.
What is the InChIKey of N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide?
The InChIKey is HDQGWPLLRGBBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O3/c1-8(18-9(2)22)13(23)21-6-4-3-5-10(21)12-20-19-11(24-12)7-14(15,16)17/h8,10H,3-7H2,1-2H3,(H,18,22).
What are the key properties of N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide?
N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide has a molecular weight of 348.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 128970069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).