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

C17H30N4O3 — CID 94646824

IUPACtert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate
SMILESCCCCc1noc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C17H30N4O3/c1-5-6-9-14-19-15(24-20-14)12-21-10-7-8-13(11-21)18-16(22)23-17(2,3)4/h13H,5-12H2,1-4H3,(H,18,22)/t13-/m1/s1
InChIKeyCHMPXDNITHHUBR-CYBMUJFWSA-N
MW338.45 g/mol
LogP2.90
Rot. Bonds6

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

tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate (PubChem CID 94646824) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate
PubChem CID94646824
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Nametert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate
SMILESCCCCc1noc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C17H30N4O3/c1-5-6-9-14-19-15(24-20-14)12-21-10-7-8-13(11-21)18-16(22)23-17(2,3)4/h13H,5-12H2,1-4H3,(H,18,22)/t13-/m1/s1
InChIKeyCHMPXDNITHHUBR-CYBMUJFWSA-N
XLogP2.90
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038420
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium
CID 90806359
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
tert-butyl N-[(3R)-1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]carbamate
CID 171852591
tert-butyl N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-3-yl]carbamate
CID 126818578
tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80999649
3-butyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60978301
tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate
CID 95312192
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 170906756
tert-butyl N-[(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]carbamate
CID 176898296

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate (CID 94646824) is tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate is CCCCc1noc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate?
The InChIKey is CHMPXDNITHHUBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-5-6-9-14-19-15(24-20-14)12-21-10-7-8-13(11-21)18-16(22)23-17(2,3)4/h13H,5-12H2,1-4H3,(H,18,22)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate has a molecular weight of 338.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 94646824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).