cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone

C18H27N3O3 — CID 163338903

IUPACcyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C18H27N3O3/c22-18(14-5-2-1-3-6-14)21-10-4-7-15(11-21)23-12-16-19-17(20-24-16)13-8-9-13/h13-15H,1-12H2
InChIKeyCEVISUDDYJPDQU-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.03
Rot. Bonds5

About cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone

cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone (PubChem CID 163338903) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
PubChem CID163338903
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Namecyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C18H27N3O3/c22-18(14-5-2-1-3-6-14)21-10-4-7-15(11-21)23-12-16-19-17(20-24-16)13-8-9-13/h13-15H,1-12H2
InChIKeyCEVISUDDYJPDQU-UHFFFAOYSA-N
XLogP3.03
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone (CID 163338903) is cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCCC(OCc2nc(C3CC3)no2)C1.
What is the InChIKey of cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
The InChIKey is CEVISUDDYJPDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-18(14-5-2-1-3-6-14)21-10-4-7-15(11-21)23-12-16-19-17(20-24-16)13-8-9-13/h13-15H,1-12H2.
What are the key properties of cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone?
cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone has a molecular weight of 333.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 163338903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).