3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one

C14H22N4O2 — CID 65389710

IUPAC3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESO=C1NCCNC1Cc1nc(C2CCCCCC2)no1
InChIInChI=1S/C14H22N4O2/c19-14-11(15-7-8-16-14)9-12-17-13(18-20-12)10-5-3-1-2-4-6-10/h10-11,15H,1-9H2,(H,16,19)
InChIKeyMGIDBORRLVAFSG-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.14
Rot. Bonds3

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

3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (PubChem CID 65389710) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
PubChem CID65389710
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESO=C1NCCNC1Cc1nc(C2CCCCCC2)no1
InChIInChI=1S/C14H22N4O2/c19-14-11(15-7-8-16-14)9-12-17-13(18-20-12)10-5-3-1-2-4-6-10/h10-11,15H,1-9H2,(H,16,19)
InChIKeyMGIDBORRLVAFSG-UHFFFAOYSA-N
XLogP1.14
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65389898
3-[[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 115385343
3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 115345453
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
3-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 116702813
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65389519
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837799

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The IUPAC name of 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (CID 65389710) is 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is O=C1NCCNC1Cc1nc(C2CCCCCC2)no1.
What is the InChIKey of 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The InChIKey is MGIDBORRLVAFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14-11(15-7-8-16-14)9-12-17-13(18-20-12)10-5-3-1-2-4-6-10/h10-11,15H,1-9H2,(H,16,19).
What are the key properties of 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one has a molecular weight of 278.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 65389710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).