methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate

C10H17N3O3 — CID 177064461

IUPACmethyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C2=NC(C)ON2)CC1
InChIInChI=1S/C10H17N3O3/c1-7-11-9(12-16-7)8-3-5-13(6-4-8)10(14)15-2/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyRCLSRZAXQREBTM-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.74
Rot. Bonds1

About methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate

methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate (PubChem CID 177064461) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate
PubChem CID177064461
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C2=NC(C)ON2)CC1
InChIInChI=1S/C10H17N3O3/c1-7-11-9(12-16-7)8-3-5-13(6-4-8)10(14)15-2/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyRCLSRZAXQREBTM-UHFFFAOYSA-N
XLogP0.74
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate (CID 177064461) is methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate is COC(=O)N1CCC(C2=NC(C)ON2)CC1.
What is the InChIKey of methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate?
The InChIKey is RCLSRZAXQREBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7-11-9(12-16-7)8-3-5-13(6-4-8)10(14)15-2/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate?
methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 177064461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).