2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

C20H22N4O — CID 95849799

IUPAC2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(CN2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1
InChIInChI=1S/C20H22N4O/c1-15-7-9-16(10-8-15)13-24-12-4-5-17(14-24)19-22-23-20(25-19)18-6-2-3-11-21-18/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m0/s1
InChIKeyYEHCDLPYLUEPRN-KRWDZBQOSA-N
MW334.42 g/mol
LogP3.82
Rot. Bonds4

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

2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 95849799) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID95849799
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(CN2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1
InChIInChI=1S/C20H22N4O/c1-15-7-9-16(10-8-15)13-24-12-4-5-17(14-24)19-22-23-20(25-19)18-6-2-3-11-21-18/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m0/s1
InChIKeyYEHCDLPYLUEPRN-KRWDZBQOSA-N
XLogP3.82
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92574587
2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92572835
2-(3,4-dimethoxyphenyl)-1-[(3S)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 95849787
2-methyl-4-[(3S)-1-[(4-pyridin-2-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782782
2-(4-methylphenyl)-5-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137446
2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235511
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 110235552
2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 75615431
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235508
2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 46956799

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 95849799) is 2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is Cc1ccc(CN2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1.
What is the InChIKey of 2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is YEHCDLPYLUEPRN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-7-9-16(10-8-15)13-24-12-4-5-17(14-24)19-22-23-20(25-19)18-6-2-3-11-21-18/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m0/s1.
What are the key properties of 2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 95849799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).