1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone

C15H18N4O2 — CID 43770533

IUPAC1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cccc(-c3nnco3)c2)CC1
InChIInChI=1S/C15H18N4O2/c1-11(20)19-7-5-13(6-8-19)17-14-4-2-3-12(9-14)15-18-16-10-21-15/h2-4,9-10,13,17H,5-8H2,1H3
InChIKeyDRLJEUUJJVRZLW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.16
Rot. Bonds3

About 1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone

1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone (PubChem CID 43770533) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone
PubChem CID43770533
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cccc(-c3nnco3)c2)CC1
InChIInChI=1S/C15H18N4O2/c1-11(20)19-7-5-13(6-8-19)17-14-4-2-3-12(9-14)15-18-16-10-21-15/h2-4,9-10,13,17H,5-8H2,1H3
InChIKeyDRLJEUUJJVRZLW-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

N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine
CID 43511357
1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
CID 86783007
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]oxepan-4-amine
CID 65076562
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
N-(2-methylcyclohexyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206430
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033580
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
CID 43782188
1-ethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
CID 28713194
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone (CID 43770533) is 1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cccc(-c3nnco3)c2)CC1.
What is the InChIKey of 1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone?
The InChIKey is DRLJEUUJJVRZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(20)19-7-5-13(6-8-19)17-14-4-2-3-12(9-14)15-18-16-10-21-15/h2-4,9-10,13,17H,5-8H2,1H3.
What are the key properties of 1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone?
1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]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-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43770533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).