3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole

C15H25N3O — CID 96839705

IUPAC3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESC1CCCC(c2noc(C[C@H]3CCCNC3)n2)CC1
InChIInChI=1S/C15H25N3O/c1-2-4-8-13(7-3-1)15-17-14(19-18-15)10-12-6-5-9-16-11-12/h12-13,16H,1-11H2/t12-/m1/s1
InChIKeyMVVUZODLFXABPE-GFCCVEGCSA-N
MW263.38 g/mol
LogP3.05
Rot. Bonds3

About 3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole

3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 96839705) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID96839705
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESC1CCCC(c2noc(C[C@H]3CCCNC3)n2)CC1
InChIInChI=1S/C15H25N3O/c1-2-4-8-13(7-3-1)15-17-14(19-18-15)10-12-6-5-9-16-11-12/h12-13,16H,1-11H2/t12-/m1/s1
InChIKeyMVVUZODLFXABPE-GFCCVEGCSA-N
XLogP3.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-4-yl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97052953
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425
5-(piperidin-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620996
3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65389898
5-(pyrrolidin-3-ylmethyl)-3-(thian-2-yl)-1,2,4-oxadiazole
CID 80621101
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
3-piperidin-2-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115077325
3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
3-(oxolan-3-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842315
4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79078452

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole (CID 96839705) is 3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole is C1CCCC(c2noc(C[C@H]3CCCNC3)n2)CC1.
What is the InChIKey of 3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is MVVUZODLFXABPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-4-8-13(7-3-1)15-17-14(19-18-15)10-12-6-5-9-16-11-12/h12-13,16H,1-11H2/t12-/m1/s1.
What are the key properties of 3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole?
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 263.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 96839705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).