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

C17H28N4O3 — CID 99703069

IUPACtert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate
SMILESCc1nc(C2(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)no1
InChIInChI=1S/C17H28N4O3/c1-12-18-14(20-24-12)17(8-6-9-17)19-13-7-5-10-21(11-13)15(22)23-16(2,3)4/h13,19H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyQIIPPUIQLWVIBO-CYBMUJFWSA-N
MW336.44 g/mol
LogP2.75
Rot. Bonds3

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

tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate (PubChem CID 99703069) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate
PubChem CID99703069
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Nametert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate
SMILESCc1nc(C2(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)no1
InChIInChI=1S/C17H28N4O3/c1-12-18-14(20-24-12)17(8-6-9-17)19-13-7-5-10-21(11-13)15(22)23-16(2,3)4/h13,19H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyQIIPPUIQLWVIBO-CYBMUJFWSA-N
XLogP2.75
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate
CID 155388543
tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 168974665
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate
CID 84597373
tert-butyl 3-(methylsulfanylamino)piperidine-1-carboxylate
CID 142582835
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate
CID 167930887
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933973
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate
CID 103949341
tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate
CID 103949364

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate (CID 99703069) is tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate is Cc1nc(C2(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)no1.
What is the InChIKey of tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate?
The InChIKey is QIIPPUIQLWVIBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12-18-14(20-24-12)17(8-6-9-17)19-13-7-5-10-21(11-13)15(22)23-16(2,3)4/h13,19H,5-11H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 99703069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).