methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate

C12H17N3O3 — CID 116808572

IUPACmethyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc(N3CCCCC3)no2)CC1
InChIInChI=1S/C12H17N3O3/c1-17-10(16)12(5-6-12)9-13-11(14-18-9)15-7-3-2-4-8-15/h2-8H2,1H3
InChIKeyRTNFAMIUTJHTAU-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.26
Rot. Bonds3

About methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate

methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate (PubChem CID 116808572) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
PubChem CID116808572
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc(N3CCCCC3)no2)CC1
InChIInChI=1S/C12H17N3O3/c1-17-10(16)12(5-6-12)9-13-11(14-18-9)15-7-3-2-4-8-15/h2-8H2,1H3
InChIKeyRTNFAMIUTJHTAU-UHFFFAOYSA-N
XLogP1.26
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate
CID 116808530
methyl 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79733482
3-(azepan-1-yl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 116807938
methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734885
methyl 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734287
1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone
CID 116808785
methyl 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 102927035
[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116808128
methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734193
methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79714469
methyl 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79733484
methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734676

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate (CID 116808572) is methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2nc(N3CCCCC3)no2)CC1.
What is the InChIKey of methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate?
The InChIKey is RTNFAMIUTJHTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-10(16)12(5-6-12)9-13-11(14-18-9)15-7-3-2-4-8-15/h2-8H2,1H3.
What are the key properties of methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate?
methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116808572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).