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

C18H27N3O4 — CID 91908030

IUPACoxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC(c2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C18H27N3O4/c22-18(15-5-11-24-12-6-15)21-7-1-14(2-8-21)17-19-16(20-25-17)13-3-9-23-10-4-13/h13-15H,1-12H2
InChIKeyNGFACQNSKHMUQS-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.10
Rot. Bonds3

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

oxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 91908030) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is oxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID91908030
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nameoxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC(c2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C18H27N3O4/c22-18(15-5-11-24-12-6-15)21-7-1-14(2-8-21)17-19-16(20-25-17)13-3-9-23-10-4-13/h13-15H,1-12H2
InChIKeyNGFACQNSKHMUQS-UHFFFAOYSA-N
XLogP2.10
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 91908030) is oxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is O=C(C1CCOCC1)N1CCC(c2nc(C3CCOCC3)no2)CC1.
What is the InChIKey of oxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is NGFACQNSKHMUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c22-18(15-5-11-24-12-6-15)21-7-1-14(2-8-21)17-19-16(20-25-17)13-3-9-23-10-4-13/h13-15H,1-12H2.
What are the key properties of oxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
oxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91908030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).