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

C12H17F3N4O2 — CID 128991930

IUPACN-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCCCC1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C12H17F3N4O2/c1-16-9(20)7-19-5-3-2-4-8(19)11-18-17-10(21-11)6-12(13,14)15/h8H,2-7H2,1H3,(H,16,20)
InChIKeyFXNFBBHGWQCKIK-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.45
Rot. Bonds4

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

N-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 128991930) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID128991930
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC NameN-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCCCC1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C12H17F3N4O2/c1-16-9(20)7-19-5-3-2-4-8(19)11-18-17-10(21-11)6-12(13,14)15/h8H,2-7H2,1H3,(H,16,20)
InChIKeyFXNFBBHGWQCKIK-UHFFFAOYSA-N
XLogP1.45
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide with MolForge

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Related Compounds

JL-Mono-GK-DP
CID 16129568
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
N-[(1S)-5-amino-1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]pentyl]piperidine-4-carboxamide
CID 16066653
2-Piperidin-2-yl-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole
CID 155714287
2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole
CID 175746199
2-[(2R)-piperidin-2-yl]-5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazole
CID 175746311
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-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 128991930) is N-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is CNC(=O)CN1CCCCC1c1nnc(CC(F)(F)F)o1.
What is the InChIKey of N-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is FXNFBBHGWQCKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-16-9(20)7-19-5-3-2-4-8(19)11-18-17-10(21-11)6-12(13,14)15/h8H,2-7H2,1H3,(H,16,20).
What are the key properties of N-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 306.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 128991930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).