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

C25H27N3O3 — CID 31828706

IUPAC1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)c(C)c1
InChIInChI=1S/C25H27N3O3/c1-17-8-9-21(18(2)16-17)24(30)19-12-14-28(15-13-19)23(29)11-10-22-26-27-25(31-22)20-6-4-3-5-7-20/h3-9,16,19H,10-15H2,1-2H3
InChIKeyKQNMHSCUTOUMOU-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.41
Rot. Bonds6

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

1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 31828706) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID31828706
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)c(C)c1
InChIInChI=1S/C25H27N3O3/c1-17-8-9-21(18(2)16-17)24(30)19-12-14-28(15-13-19)23(29)11-10-22-26-27-25(31-22)20-6-4-3-5-7-20/h3-9,16,19H,10-15H2,1-2H3
InChIKeyKQNMHSCUTOUMOU-UHFFFAOYSA-N
XLogP4.41
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-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

methyl 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxylate
CID 51238602
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
4-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazine-1-carbaldehyde
CID 110334291
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 51263196
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
ethyl (3R)-3-phenyl-3-[1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]propanoate
CID 51957756
3-(1,3-benzodioxol-5-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propan-1-one
CID 31829860
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 55987416
1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 86905277
N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide
CID 55950279
N-[(2,4-dimethylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46590920

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 31828706) is 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is Cc1ccc(C(=O)C2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)c(C)c1.
What is the InChIKey of 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is KQNMHSCUTOUMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17-8-9-21(18(2)16-17)24(30)19-12-14-28(15-13-19)23(29)11-10-22-26-27-25(31-22)20-6-4-3-5-7-20/h3-9,16,19H,10-15H2,1-2H3.
What are the key properties of 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 417.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 31828706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).