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

C23H25N3O2 — CID 50846211

IUPAC(3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(Cc3nnc(-c4ccccc4)o3)CC2)cc1C
InChIInChI=1S/C23H25N3O2/c1-16-8-9-20(14-17(16)2)23(27)26-12-10-18(11-13-26)15-21-24-25-22(28-21)19-6-4-3-5-7-19/h3-9,14,18H,10-13,15H2,1-2H3
InChIKeyADFCXIJCRGRNFR-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.45
Rot. Bonds4

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

(3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 50846211) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID50846211
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(Cc3nnc(-c4ccccc4)o3)CC2)cc1C
InChIInChI=1S/C23H25N3O2/c1-16-8-9-20(14-17(16)2)23(27)26-12-10-18(11-13-26)15-21-24-25-22(28-21)19-6-4-3-5-7-19/h3-9,14,18H,10-13,15H2,1-2H3
InChIKeyADFCXIJCRGRNFR-UHFFFAOYSA-N
XLogP4.45
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone (CID 50846211) is (3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(Cc3nnc(-c4ccccc4)o3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is ADFCXIJCRGRNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-8-9-20(14-17(16)2)23(27)26-12-10-18(11-13-26)15-21-24-25-22(28-21)19-6-4-3-5-7-19/h3-9,14,18H,10-13,15H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 50846211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).