1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone

C15H18N4O2 — CID 122569461

IUPAC1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Nc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C15H18N4O2/c1-11(20)19-9-5-8-13(10-19)16-15-17-14(18-21-15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,17,18)
InChIKeyGTZAHBPPWBYKPW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.16
Rot. Bonds3

About 1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone

1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone (PubChem CID 122569461) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone
PubChem CID122569461
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Nc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C15H18N4O2/c1-11(20)19-9-5-8-13(10-19)16-15-17-14(18-21-15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,17,18)
InChIKeyGTZAHBPPWBYKPW-UHFFFAOYSA-N
XLogP2.16
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 131931943
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
[(3S)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292828
[(3R)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292827
N-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837
1-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
CID 128966010
N-(4-ethoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760936
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]hexan-1-one
CID 4037944
2-phenyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 42760576
formic acid;1-[4-[(1-methylpiperidin-3-yl)amino]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]ethanone
CID 154921448
1-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 7351261
cyclopentyl-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 99757164

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone (CID 122569461) is 1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCCC(Nc2nc(-c3ccccc3)no2)C1.
What is the InChIKey of 1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is GTZAHBPPWBYKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(20)19-9-5-8-13(10-19)16-15-17-14(18-21-15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,17,18).
What are the key properties of 1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone?
1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 122569461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).