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

C17H30N4O3 — CID 60512395

IUPACtert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)c1noc(C(C)N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H30N4O3/c1-11(2)14-19-15(24-20-14)12(3)21-9-7-13(8-10-21)18-16(22)23-17(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,22)
InChIKeyHGLYPTOFVVRSHB-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.24
Rot. Bonds4

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

tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate (PubChem CID 60512395) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate
PubChem CID60512395
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Nametert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)c1noc(C(C)N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H30N4O3/c1-11(2)14-19-15(24-20-14)12(3)21-9-7-13(8-10-21)18-16(22)23-17(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,22)
InChIKeyHGLYPTOFVVRSHB-UHFFFAOYSA-N
XLogP3.24
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]carbamate
CID 78899802
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
N-(3-ethoxypropyl)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 55663726
tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 94147044
tert-butyl N-[1-(oxiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 87133691
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate
CID 95300418
tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60512573
tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate
CID 95973700
tert-butyl N-[(3R)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]carbamate
CID 97175522
1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide
CID 37258781
(2S)-2-(furan-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 86309547

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate (CID 60512395) is tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate is CC(C)c1noc(C(C)N2CCC(NC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate?
The InChIKey is HGLYPTOFVVRSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-11(2)14-19-15(24-20-14)12(3)21-9-7-13(8-10-21)18-16(22)23-17(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,22).
What are the key properties of tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate has a molecular weight of 338.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 60512395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).