5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C17H22N4O2 — CID 56886725

IUPAC5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CN2CCCCC2CCc2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c18-16(22)17-19-15(23-20-17)12-21-11-5-4-8-14(21)10-9-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,18,22)
InChIKeyNYLPEUPLARRJOU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.16
Rot. Bonds6

About 5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 56886725) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID56886725
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CN2CCCCC2CCc2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c18-16(22)17-19-15(23-20-17)12-21-11-5-4-8-14(21)10-9-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,18,22)
InChIKeyNYLPEUPLARRJOU-UHFFFAOYSA-N
XLogP2.16
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70712419
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea
CID 95382626
N-methyl-5-[[(3R)-3-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95711517
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]ethanone
CID 97074344
5-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115078444
2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
CID 95869234
[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
CID 70715527
5-[[(1S,2S,4R)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 165425436
3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124758455
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 56893944

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 56886725) is 5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(CN2CCCCC2CCc2ccccc2)n1.
What is the InChIKey of 5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NYLPEUPLARRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-16(22)17-19-15(23-20-17)12-21-11-5-4-8-14(21)10-9-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,18,22).
What are the key properties of 5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 56886725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).