(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone

C22H23N3O2 — CID 5322328

IUPAC(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)C1
InChIInChI=1S/C22H23N3O2/c1-15-12-16(2)14-25(13-15)22(26)19-10-8-18(9-11-19)21-24-23-20(27-21)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3
InChIKeyJBAVQRWGAKWHRL-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.52
Rot. Bonds3

About (3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone

(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone (PubChem CID 5322328) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
PubChem CID5322328
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)C1
InChIInChI=1S/C22H23N3O2/c1-15-12-16(2)14-25(13-15)22(26)19-10-8-18(9-11-19)21-24-23-20(27-21)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3
InChIKeyJBAVQRWGAKWHRL-UHFFFAOYSA-N
XLogP4.52
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 866841
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 135137140
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 7462212
[4-(benzenesulfonyl)phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3146246
(3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid
CID 124697990
phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 51923600
[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone
CID 152832775

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone (CID 5322328) is (3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone is CC1CC(C)CN(C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The InChIKey is JBAVQRWGAKWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-12-16(2)14-25(13-15)22(26)19-10-8-18(9-11-19)21-24-23-20(27-21)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone has a molecular weight of 361.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 5322328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).