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

C14H23N3O3 — CID 79832899

IUPACmethyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1noc(CC(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-10(2)8-13-15-12(16-20-13)9-17-7-5-4-6-11(17)14(18)19-3/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyGCSIWICIJUEHBI-LLVKDONJSA-N
MW281.36 g/mol
LogP1.80
Rot. Bonds5

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

methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate (PubChem CID 79832899) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate
PubChem CID79832899
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1noc(CC(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-10(2)8-13-15-12(16-20-13)9-17-7-5-4-6-11(17)14(18)19-3/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyGCSIWICIJUEHBI-LLVKDONJSA-N
XLogP1.80
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
CID 78969711
methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 97029950
methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate
CID 115279213
methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
CID 81470168
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 61495823
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
methyl (2R)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylate
CID 79835245
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanone
CID 63846365
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid
CID 63904154
N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 55628124

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate (CID 79832899) is methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1noc(CC(C)C)n1.
What is the InChIKey of methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate?
The InChIKey is GCSIWICIJUEHBI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(2)8-13-15-12(16-20-13)9-17-7-5-4-6-11(17)14(18)19-3/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate?
methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 79832899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).