tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate

C16H28N4O3 — CID 106394787

IUPACtert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate
SMILESCC(NCCc1ncno1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H28N4O3/c1-12(17-8-7-14-18-11-19-23-14)13-6-5-9-20(10-13)15(21)22-16(2,3)4/h11-13,17H,5-10H2,1-4H3
InChIKeyLRUXSSLNCRDVSE-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.24
Rot. Bonds5

About tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate (PubChem CID 106394787) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate
PubChem CID106394787
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate
SMILESCC(NCCc1ncno1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H28N4O3/c1-12(17-8-7-14-18-11-19-23-14)13-6-5-9-20(10-13)15(21)22-16(2,3)4/h11-13,17H,5-10H2,1-4H3
InChIKeyLRUXSSLNCRDVSE-UHFFFAOYSA-N
XLogP2.24
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
CID 106394491
tert-butyl 3-[1-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl 3-[1-(2-ethoxyethylamino)ethyl]piperidine-1-carboxylate
CID 63586965
tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate
CID 63585875
tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate
CID 103698909
tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
CID 103460936
tert-butyl 3-[1-(3-methylsulfinylpropylamino)ethyl]piperidine-1-carboxylate
CID 103948359
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl (3R)-3-[(1R)-1-[3-(ethylsulfonylamino)propylamino]ethyl]piperidine-1-carboxylate
CID 97341177
tert-butyl (3R)-3-[(1S)-1-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]piperidine-1-carboxylate
CID 124677669

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate (CID 106394787) is tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate is CC(NCCc1ncno1)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate?
The InChIKey is LRUXSSLNCRDVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12(17-8-7-14-18-11-19-23-14)13-6-5-9-20(10-13)15(21)22-16(2,3)4/h11-13,17H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate has a molecular weight of 324.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 106394787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).