1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one

C22H23N3O2 — CID 167840665

IUPAC1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one
SMILESCc1ccc(-c2nnc(-c3ccc(CN4CCCCC4=O)cc3)o2)c(C)c1
InChIInChI=1S/C22H23N3O2/c1-15-6-11-19(16(2)13-15)22-24-23-21(27-22)18-9-7-17(8-10-18)14-25-12-4-3-5-20(25)26/h6-11,13H,3-5,12,14H2,1-2H3
InChIKeyLHLKUZDUIWHUMT-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.53
Rot. Bonds4

About 1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one

1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one (PubChem CID 167840665) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one
PubChem CID167840665
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one
SMILESCc1ccc(-c2nnc(-c3ccc(CN4CCCCC4=O)cc3)o2)c(C)c1
InChIInChI=1S/C22H23N3O2/c1-15-6-11-19(16(2)13-15)22-24-23-21(27-22)18-9-7-17(8-10-18)14-25-12-4-3-5-20(25)26/h6-11,13H,3-5,12,14H2,1-2H3
InChIKeyLHLKUZDUIWHUMT-UHFFFAOYSA-N
XLogP4.53
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
CID 157436234
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
4-[(4-methylphenyl)methyl]-1,4-diazepan-5-one
CID 53409912
1-(2,4-dimethylphenyl)-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]thiourea
CID 100710403
1-(4-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052504
2-methyl-1-[(4-methylphenyl)methyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111245312
2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
CID 82483538
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133490165
2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
CID 24656982
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one?
The IUPAC name of 1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one (CID 167840665) is 1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one is Cc1ccc(-c2nnc(-c3ccc(CN4CCCCC4=O)cc3)o2)c(C)c1.
What is the InChIKey of 1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one?
The InChIKey is LHLKUZDUIWHUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-6-11-19(16(2)13-15)22-24-23-21(27-22)18-9-7-17(8-10-18)14-25-12-4-3-5-20(25)26/h6-11,13H,3-5,12,14H2,1-2H3.
What are the key properties of 1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one?
1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one has a molecular weight of 361.45 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 167840665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).