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

C13H21N3O3 — CID 79038420

IUPACmethyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
SMILESCCCc1noc(CN2CCC[C@H](C(=O)OC)C2)n1
InChIInChI=1S/C13H21N3O3/c1-3-5-11-14-12(19-15-11)9-16-7-4-6-10(8-16)13(17)18-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyAHCSFOBPRJJSCM-JTQLQIEISA-N
MW267.33 g/mol
LogP1.41
Rot. Bonds5

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

methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate (PubChem CID 79038420) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
PubChem CID79038420
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
SMILESCCCc1noc(CN2CCC[C@H](C(=O)OC)C2)n1
InChIInChI=1S/C13H21N3O3/c1-3-5-11-14-12(19-15-11)9-16-7-4-6-10(8-16)13(17)18-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyAHCSFOBPRJJSCM-JTQLQIEISA-N
XLogP1.41
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 78920518
ethyl (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 81338191
methyl (3S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038427
morpholin-4-yl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56706828
methyl (3S)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79037760
ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 60718797
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 43440669
[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 26408898
(1-methylimidazol-2-yl)-[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42147518
ethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylate
CID 61357063
ethyl 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 60722255
ethyl (3S)-1-[[3-(benzamidomethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxylate
CID 36545910

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate (CID 79038420) is methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate is CCCc1noc(CN2CCC[C@H](C(=O)OC)C2)n1.
What is the InChIKey of methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate?
The InChIKey is AHCSFOBPRJJSCM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-5-11-14-12(19-15-11)9-16-7-4-6-10(8-16)13(17)18-2/h10H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate?
methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 79038420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).