3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

C16H27N3O — CID 65389519

IUPAC3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESC1CCCC(c2noc(CCC3CCNCC3)n2)CC1
InChIInChI=1S/C16H27N3O/c1-2-4-6-14(5-3-1)16-18-15(20-19-16)8-7-13-9-11-17-12-10-13/h13-14,17H,1-12H2
InChIKeyOCZMGJZLEQVUSI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.44
Rot. Bonds4

About 3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (PubChem CID 65389519) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
PubChem CID65389519
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESC1CCCC(c2noc(CCC3CCNCC3)n2)CC1
InChIInChI=1S/C16H27N3O/c1-2-4-6-14(5-3-1)16-18-15(20-19-16)8-7-13-9-11-17-12-10-13/h13-14,17H,1-12H2
InChIKeyOCZMGJZLEQVUSI-UHFFFAOYSA-N
XLogP3.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842339
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216208
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 79192890
5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 62216698
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (CID 65389519) is 3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is C1CCCC(c2noc(CCC3CCNCC3)n2)CC1.
What is the InChIKey of 3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The InChIKey is OCZMGJZLEQVUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-4-6-14(5-3-1)16-18-15(20-19-16)8-7-13-9-11-17-12-10-13/h13-14,17H,1-12H2.
What are the key properties of 3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole has a molecular weight of 277.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65389519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).