2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C20H22N4O — CID 72910226

IUPAC2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCC1(c2ccccc2)CCCN(Cc2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C20H22N4O/c1-20(17-8-3-2-4-9-17)10-6-12-24(15-20)14-18-22-23-19(25-18)16-7-5-11-21-13-16/h2-5,7-9,11,13H,6,10,12,14-15H2,1H3
InChIKeyOHPHRKNKFWZYPA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.69
Rot. Bonds4

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

2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 72910226) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID72910226
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCC1(c2ccccc2)CCCN(Cc2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C20H22N4O/c1-20(17-8-3-2-4-9-17)10-6-12-24(15-20)14-18-22-23-19(25-18)16-7-5-11-21-13-16/h2-5,7-9,11,13H,6,10,12,14-15H2,1H3
InChIKeyOHPHRKNKFWZYPA-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 72910226) is 2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is CC1(c2ccccc2)CCCN(Cc2nnc(-c3cccnc3)o2)C1.
What is the InChIKey of 2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is OHPHRKNKFWZYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(17-8-3-2-4-9-17)10-6-12-24(15-20)14-18-22-23-19(25-18)16-7-5-11-21-13-16/h2-5,7-9,11,13H,6,10,12,14-15H2,1H3.
What are the key properties of 2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 72910226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).