[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

C21H21N3O2 — CID 47061019

IUPAC[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESCc1noc(C2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)n1
InChIInChI=1S/C21H21N3O2/c1-15-22-20(26-23-15)19-8-5-13-24(14-19)21(25)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-14H2,1H3
InChIKeyGJTMUUXWSISGEJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.06
Rot. Bonds3

About [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 47061019) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID47061019
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESCc1noc(C2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)n1
InChIInChI=1S/C21H21N3O2/c1-15-22-20(26-23-15)19-8-5-13-24(14-19)21(25)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-14H2,1H3
InChIKeyGJTMUUXWSISGEJ-UHFFFAOYSA-N
XLogP4.06
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 4037209
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
(6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526596
(6-ethoxy-3-pyridinyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526598
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 5126087
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 1456111
(5-bromo-3-pyridinyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51120868
(E)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984699

Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (CID 47061019) is [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is Cc1noc(C2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)n1.
What is the InChIKey of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is GJTMUUXWSISGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-22-20(26-23-15)19-8-5-13-24(14-19)21(25)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-14H2,1H3.
What are the key properties of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 347.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 47061019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).