3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C17H28N4O2 — CID 72860267

IUPAC3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCc1nnc(N2CCC(CCC(=O)N3CCCC3)CC2)o1
InChIInChI=1S/C17H28N4O2/c1-2-5-15-18-19-17(23-15)21-12-8-14(9-13-21)6-7-16(22)20-10-3-4-11-20/h14H,2-13H2,1H3
InChIKeyXXDUKSZGWQTQSA-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.64
Rot. Bonds6

About 3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 72860267) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID72860267
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCc1nnc(N2CCC(CCC(=O)N3CCCC3)CC2)o1
InChIInChI=1S/C17H28N4O2/c1-2-5-15-18-19-17(23-15)21-12-8-14(9-13-21)6-7-16(22)20-10-3-4-11-20/h14H,2-13H2,1H3
InChIKeyXXDUKSZGWQTQSA-UHFFFAOYSA-N
XLogP2.64
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 72860267) is 3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is CCCc1nnc(N2CCC(CCC(=O)N3CCCC3)CC2)o1.
What is the InChIKey of 3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is XXDUKSZGWQTQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-2-5-15-18-19-17(23-15)21-12-8-14(9-13-21)6-7-16(22)20-10-3-4-11-20/h14H,2-13H2,1H3.
What are the key properties of 3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 320.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 72860267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).