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

C23H25N3O3 — CID 53150018

IUPAC(4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3nnc(-c4ccccc4)o3)CC2)c(C)c1
InChIInChI=1S/C23H25N3O3/c1-16-14-19(28-2)8-9-20(16)23(27)26-12-10-17(11-13-26)15-21-24-25-22(29-21)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3
InChIKeyYPTZTRUOSLFFOO-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.15
Rot. Bonds5

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

(4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 53150018) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID53150018
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3nnc(-c4ccccc4)o3)CC2)c(C)c1
InChIInChI=1S/C23H25N3O3/c1-16-14-19(28-2)8-9-20(16)23(27)26-12-10-17(11-13-26)15-21-24-25-22(29-21)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3
InChIKeyYPTZTRUOSLFFOO-UHFFFAOYSA-N
XLogP4.15
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
CID 50846469
(4-methoxy-2-methylphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91892032
4-[[(3S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870038
4-[[(3R)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870039
(4-benzylpiperidin-1-yl)-(2-bromo-5-methoxyphenyl)methanone
CID 27553728
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111463007
1-(4-benzylpiperidin-1-yl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 1139648
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111561506
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 31828706
[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 53134203
4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382261
(2,4-dimethylphenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121824

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone (CID 53150018) is (4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Cc3nnc(-c4ccccc4)o3)CC2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is YPTZTRUOSLFFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-14-19(28-2)8-9-20(16)23(27)26-12-10-17(11-13-26)15-21-24-25-22(29-21)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3.
What are the key properties of (4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
(4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53150018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).