2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole

C22H25N3O — CID 71901584

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)c1
InChIInChI=1S/C22H25N3O/c1-17-6-5-9-20(14-17)22-24-23-21(26-22)16-25-12-10-19(11-13-25)15-18-7-3-2-4-8-18/h2-9,14,19H,10-13,15-16H2,1H3
InChIKeyGJICAWBNEYGZQW-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.50
Rot. Bonds5

About 2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole

2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 71901584) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID71901584
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)c1
InChIInChI=1S/C22H25N3O/c1-17-6-5-9-20(14-17)22-24-23-21(26-22)16-25-12-10-19(11-13-25)15-18-7-3-2-4-8-18/h2-9,14,19H,10-13,15-16H2,1H3
InChIKeyGJICAWBNEYGZQW-UHFFFAOYSA-N
XLogP4.50
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407
2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 78826415
4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898257
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8997319
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665
2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 33110569
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168
3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 110170900
1-[4-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 78818485

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 71901584) is 2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole is Cc1cccc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)c1.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is GJICAWBNEYGZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-6-5-9-20(14-17)22-24-23-21(26-22)16-25-12-10-19(11-13-25)15-18-7-3-2-4-8-18/h2-9,14,19H,10-13,15-16H2,1H3.
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 347.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71901584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).