tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate

C17H30N4O3 — CID 95312192

IUPACtert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate
SMILESCCc1nc(CN2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)no1
InChIInChI=1S/C17H30N4O3/c1-6-15-19-14(20-24-15)11-21-9-7-13(8-10-21)12(2)18-16(22)23-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,22)/t12-/m1/s1
InChIKeyIZNJNTZQCUFMLA-GFCCVEGCSA-N
MW338.45 g/mol
LogP2.76
Rot. Bonds5

About tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 95312192) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate
PubChem CID95312192
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Nametert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate
SMILESCCc1nc(CN2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)no1
InChIInChI=1S/C17H30N4O3/c1-6-15-19-14(20-24-15)11-21-9-7-13(8-10-21)12(2)18-16(22)23-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,22)/t12-/m1/s1
InChIKeyIZNJNTZQCUFMLA-GFCCVEGCSA-N
XLogP2.76
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate (CID 95312192) is tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate is CCc1nc(CN2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)no1.
What is the InChIKey of tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is IZNJNTZQCUFMLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-6-15-19-14(20-24-15)11-21-9-7-13(8-10-21)12(2)18-16(22)23-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,22)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 338.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 95312192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).