methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate

C13H19N3O4 — CID 43431164

IUPACmethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCc2nc(C)no2)CC1
InChIInChI=1S/C13H19N3O4/c1-9-14-11(20-15-9)3-4-12(17)16-7-5-10(6-8-16)13(18)19-2/h10H,3-8H2,1-2H3
InChIKeyHTKVLWHQEXLVSI-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.72
Rot. Bonds4

About methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate

methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate (PubChem CID 43431164) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate
PubChem CID43431164
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCc2nc(C)no2)CC1
InChIInChI=1S/C13H19N3O4/c1-9-14-11(20-15-9)3-4-12(17)16-7-5-10(6-8-16)13(18)19-2/h10H,3-8H2,1-2H3
InChIKeyHTKVLWHQEXLVSI-UHFFFAOYSA-N
XLogP0.72
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 113268925
methyl 1-[N-ethyl-N'-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252170
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624
methyl 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxylate
CID 51238602
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]piperidine-4-carboxamide
CID 110677365
methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate
CID 91950909
methyl (3S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038427
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-5-one
CID 62046417
ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate
CID 50832292
methyl 1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxylate
CID 100539386
methyl 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]piperidine-4-carboxylate
CID 112777806
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate (CID 43431164) is methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCc2nc(C)no2)CC1.
What is the InChIKey of methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate?
The InChIKey is HTKVLWHQEXLVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-14-11(20-15-9)3-4-12(17)16-7-5-10(6-8-16)13(18)19-2/h10H,3-8H2,1-2H3.
What are the key properties of methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate?
methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43431164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).