cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone

C13H20N4O2 — CID 91833090

IUPACcyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nnc(CN2CCN(C(=O)C3CCC3)CC2)o1
InChIInChI=1S/C13H20N4O2/c1-10-14-15-12(19-10)9-16-5-7-17(8-6-16)13(18)11-3-2-4-11/h11H,2-9H2,1H3
InChIKeyCEBHXCKBCLOMFH-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.82
Rot. Bonds3

About cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone

cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 91833090) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID91833090
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namecyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nnc(CN2CCN(C(=O)C3CCC3)CC2)o1
InChIInChI=1S/C13H20N4O2/c1-10-14-15-12(19-10)9-16-5-7-17(8-6-16)13(18)11-3-2-4-11/h11H,2-9H2,1H3
InChIKeyCEBHXCKBCLOMFH-UHFFFAOYSA-N
XLogP0.82
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (CID 91833090) is cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is Cc1nnc(CN2CCN(C(=O)C3CCC3)CC2)o1.
What is the InChIKey of cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is CEBHXCKBCLOMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-14-15-12(19-10)9-16-5-7-17(8-6-16)13(18)11-3-2-4-11/h11H,2-9H2,1H3.
What are the key properties of cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 91833090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).