2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

C19H26N4O — CID 110243060

IUPAC2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(C3CCCN(CC4CCCCC4)C3)o2)nc1
InChIInChI=1S/C19H26N4O/c1-2-7-15(8-3-1)13-23-12-6-9-16(14-23)18-21-22-19(24-18)17-10-4-5-11-20-17/h4-5,10-11,15-16H,1-3,6-9,12-14H2
InChIKeyOEOHZFDGGMDNBE-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.89
Rot. Bonds4

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

2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 110243060) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID110243060
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(C3CCCN(CC4CCCCC4)C3)o2)nc1
InChIInChI=1S/C19H26N4O/c1-2-7-15(8-3-1)13-23-12-6-9-16(14-23)18-21-22-19(24-18)17-10-4-5-11-20-17/h4-5,10-11,15-16H,1-3,6-9,12-14H2
InChIKeyOEOHZFDGGMDNBE-UHFFFAOYSA-N
XLogP3.89
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 110243060) is 2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is c1ccc(-c2nnc(C3CCCN(CC4CCCCC4)C3)o2)nc1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is OEOHZFDGGMDNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-7-15(8-3-1)13-23-12-6-9-16(14-23)18-21-22-19(24-18)17-10-4-5-11-20-17/h4-5,10-11,15-16H,1-3,6-9,12-14H2.
What are the key properties of 2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 326.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110243060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).