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

C16H23N3O3 — CID 91918760

IUPACcyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C16H23N3O3/c20-16(13-1-2-13)19-7-3-12(4-8-19)15-17-14(18-22-15)11-5-9-21-10-6-11/h11-13H,1-10H2
InChIKeyDKPXCTBPRJPWAB-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.08
Rot. Bonds3

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

cyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 91918760) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID91918760
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namecyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C16H23N3O3/c20-16(13-1-2-13)19-7-3-12(4-8-19)15-17-14(18-22-15)11-5-9-21-10-6-11/h11-13H,1-10H2
InChIKeyDKPXCTBPRJPWAB-UHFFFAOYSA-N
XLogP2.08
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 91918760) is cyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(c2nc(C3CCOCC3)no2)CC1.
What is the InChIKey of cyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is DKPXCTBPRJPWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-16(13-1-2-13)19-7-3-12(4-8-19)15-17-14(18-22-15)11-5-9-21-10-6-11/h11-13H,1-10H2.
What are the key properties of cyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).