methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate

C9H13N3O3 — CID 105464818

IUPACmethyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(C2CCCNC2)o1
InChIInChI=1S/C9H13N3O3/c1-14-9(13)8-12-11-7(15-8)6-3-2-4-10-5-6/h6,10H,2-5H2,1H3
InChIKeyZMPUPWBJUWDHJL-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.32
Rot. Bonds2

About methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate

methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 105464818) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
PubChem CID105464818
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(C2CCCNC2)o1
InChIInChI=1S/C9H13N3O3/c1-14-9(13)8-12-11-7(15-8)6-3-2-4-10-5-6/h6,10H,2-5H2,1H3
InChIKeyZMPUPWBJUWDHJL-UHFFFAOYSA-N
XLogP0.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112618885
5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 82668755
2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96656863
N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456060
1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 124956744
2-piperidin-3-yl-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 82473056
methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 105465885
2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82044862
dimethyl 1,3,4-oxadiazole-2,5-dicarboxylate
CID 14088399
2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84666395
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
methyl 3-iodo-4-piperidin-3-ylbenzoate
CID 44828968

Frequently Asked Questions

What is the IUPAC name of methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate (CID 105464818) is methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(C2CCCNC2)o1.
What is the InChIKey of methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is ZMPUPWBJUWDHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-9(13)8-12-11-7(15-8)6-3-2-4-10-5-6/h6,10H,2-5H2,1H3.
What are the key properties of methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate?
methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 105464818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).