[(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone

C18H25N3O2 — CID 171336942

IUPAC[(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(C2CC2)no1)N1CCCCC1
InChIInChI=1S/C18H25N3O2/c22-18(21-8-2-1-3-9-21)15-13-7-6-12(10-13)14(15)17-19-16(20-23-17)11-4-5-11/h11-15H,1-10H2/t12-,13+,14+,15+/m1/s1
InChIKeyXZIGPRLUHOZRCX-QPSCCSFWSA-N
MW315.42 g/mol
LogP3.09
Rot. Bonds3

About [(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone

[(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone (PubChem CID 171336942) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
PubChem CID171336942
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(C2CC2)no1)N1CCCCC1
InChIInChI=1S/C18H25N3O2/c22-18(21-8-2-1-3-9-21)15-13-7-6-12(10-13)14(15)17-19-16(20-23-17)11-4-5-11/h11-15H,1-10H2/t12-,13+,14+,15+/m1/s1
InChIKeyXZIGPRLUHOZRCX-QPSCCSFWSA-N
XLogP3.09
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone?
The IUPAC name of [(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone (CID 171336942) is [(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone?
The canonical SMILES for [(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone is O=C([C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(C2CC2)no1)N1CCCCC1.
What is the InChIKey of [(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone?
The InChIKey is XZIGPRLUHOZRCX-QPSCCSFWSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18(21-8-2-1-3-9-21)15-13-7-6-12(10-13)14(15)17-19-16(20-23-17)11-4-5-11/h11-15H,1-10H2/t12-,13+,14+,15+/m1/s1.
What are the key properties of [(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone?
[(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone has a molecular weight of 315.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 171336942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).