5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

C15H20N4O4 — CID 154866343

IUPAC5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCC(=O)N1CC2CC2(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)C1
InChIInChI=1S/C15H20N4O4/c1-9(20)19-7-11-6-15(11,8-19)13(21)18-4-2-10(3-5-18)12-16-17-14(22)23-12/h10-11H,2-8H2,1H3,(H,17,22)
InChIKeySJVMFYCNZMYDDX-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.06
Rot. Bonds2

About 5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 154866343) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID154866343
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCC(=O)N1CC2CC2(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)C1
InChIInChI=1S/C15H20N4O4/c1-9(20)19-7-11-6-15(11,8-19)13(21)18-4-2-10(3-5-18)12-16-17-14(22)23-12/h10-11H,2-8H2,1H3,(H,17,22)
InChIKeySJVMFYCNZMYDDX-UHFFFAOYSA-N
XLogP-0.06
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 154866343) is 5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is CC(=O)N1CC2CC2(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)C1.
What is the InChIKey of 5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is SJVMFYCNZMYDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-9(20)19-7-11-6-15(11,8-19)13(21)18-4-2-10(3-5-18)12-16-17-14(22)23-12/h10-11H,2-8H2,1H3,(H,17,22).
What are the key properties of 5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 320.35 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 154866343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).