3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol

C21H30N4O2 — CID 155496387

IUPAC3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
SMILESCc1nc(N2CCCC(O)(CN3CCC(Cc4ccccc4)CC3)C2)no1
InChIInChI=1S/C21H30N4O2/c1-17-22-20(23-27-17)25-11-5-10-21(26,16-25)15-24-12-8-19(9-13-24)14-18-6-3-2-4-7-18/h2-4,6-7,19,26H,5,8-16H2,1H3
InChIKeyPGIUUEDGSNQXMK-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.66
Rot. Bonds5

About 3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol

3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol (PubChem CID 155496387) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
PubChem CID155496387
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
SMILESCc1nc(N2CCCC(O)(CN3CCC(Cc4ccccc4)CC3)C2)no1
InChIInChI=1S/C21H30N4O2/c1-17-22-20(23-27-17)25-11-5-10-21(26,16-25)15-24-12-8-19(9-13-24)14-18-6-3-2-4-7-18/h2-4,6-7,19,26H,5,8-16H2,1H3
InChIKeyPGIUUEDGSNQXMK-UHFFFAOYSA-N
XLogP2.66
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
The IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol (CID 155496387) is 3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol.
What is the SMILES notation for 3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
The canonical SMILES for 3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol is Cc1nc(N2CCCC(O)(CN3CCC(Cc4ccccc4)CC3)C2)no1.
What is the InChIKey of 3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
The InChIKey is PGIUUEDGSNQXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-17-22-20(23-27-17)25-11-5-10-21(26,16-25)15-24-12-8-19(9-13-24)14-18-6-3-2-4-7-18/h2-4,6-7,19,26H,5,8-16H2,1H3.
What are the key properties of 3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol has a molecular weight of 370.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol is sourced from PubChem (CID 155496387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).