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

C15H26N4O3 — CID 103729598

IUPACtert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCc1noc(CCNC2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N4O3/c1-11-17-13(22-18-11)5-8-16-12-6-9-19(10-7-12)14(20)21-15(2,3)4/h12,16H,5-10H2,1-4H3
InChIKeyIKHYNQDTFDBOLH-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.91
Rot. Bonds4

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

tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 103729598) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate
PubChem CID103729598
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCc1noc(CCNC2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N4O3/c1-11-17-13(22-18-11)5-8-16-12-6-9-19(10-7-12)14(20)21-15(2,3)4/h12,16H,5-10H2,1-4H3
InChIKeyIKHYNQDTFDBOLH-UHFFFAOYSA-N
XLogP1.91
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate
CID 63303055
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844783
tert-butyl 4-[2-(1-methylpyrazol-4-yl)ethylamino]piperidine-1-carboxylate
CID 103729464
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
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N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103914423
tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate
CID 75365665
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
tert-butyl 4-[(3-iodo-3-oxopropyl)amino]piperidine-1-carboxylate
CID 89193788
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127
tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103748044
tert-butyl 4-[2-(2-amino-3-pyridinyl)ethylamino]piperidine-1-carboxylate
CID 68535771
tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate
CID 43652133

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate (CID 103729598) is tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate is Cc1noc(CCNC2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is IKHYNQDTFDBOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11-17-13(22-18-11)5-8-16-12-6-9-19(10-7-12)14(20)21-15(2,3)4/h12,16H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate?
tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103729598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).