[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone

C11H17N3O4 — CID 56879054

IUPAC[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCCCc1nnc(C(=O)N2CC[C@H](O)[C@@H](O)C2)o1
InChIInChI=1S/C11H17N3O4/c1-2-3-9-12-13-10(18-9)11(17)14-5-4-7(15)8(16)6-14/h7-8,15-16H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyHQFZWJIJMGHKTM-YUMQZZPRSA-N
MW255.27 g/mol
LogP-0.41
Rot. Bonds3

About [(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone

[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 56879054) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is [(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID56879054
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCCCc1nnc(C(=O)N2CC[C@H](O)[C@@H](O)C2)o1
InChIInChI=1S/C11H17N3O4/c1-2-3-9-12-13-10(18-9)11(17)14-5-4-7(15)8(16)6-14/h7-8,15-16H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyHQFZWJIJMGHKTM-YUMQZZPRSA-N
XLogP-0.41
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone (CID 56879054) is [(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone is CCCc1nnc(C(=O)N2CC[C@H](O)[C@@H](O)C2)o1.
What is the InChIKey of [(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is HQFZWJIJMGHKTM-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-3-9-12-13-10(18-9)11(17)14-5-4-7(15)8(16)6-14/h7-8,15-16H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of [(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone?
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 255.27 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 56879054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).