tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate

C21H35N3O4 — CID 110606987

IUPACtert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate
SMILESCc1onc(C(C)(C)C)c1C(=O)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H35N3O4/c1-14-16(17(22-28-14)20(2,3)4)18(25)23(8)13-15-9-11-24(12-10-15)19(26)27-21(5,6)7/h15H,9-13H2,1-8H3
InChIKeyLQNTUMXZDBZWOR-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.00
Rot. Bonds3

About tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate (PubChem CID 110606987) has the molecular formula C21H35N3O4 and a molecular weight of 393.53 g/mol. Its IUPAC name is tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate
PubChem CID110606987
Molecular FormulaC21H35N3O4
Molecular Weight393.53 g/mol
Exact Mass393.26
IUPAC Nametert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate
SMILESCc1onc(C(C)(C)C)c1C(=O)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H35N3O4/c1-14-16(17(22-28-14)20(2,3)4)18(25)23(8)13-15-9-11-24(12-10-15)19(26)27-21(5,6)7/h15H,9-13H2,1-8H3
InChIKeyLQNTUMXZDBZWOR-UHFFFAOYSA-N
XLogP4.00
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 139027539
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CID 66563919
tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 105488235
tert-butyl 4-[(N,4-dimethylanilino)methyl]piperidine-1-carboxylate;ethane
CID 156860747
tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate
CID 110601443
tert-butyl N-[[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 52754533
tert-butyl 4-[(dipropylamino)methyl]piperidine-1-carboxylate
CID 123464711
tert-butyl 4-[(4-bromo-2,6-difluoro-N-methylanilino)methyl]piperidine-1-carboxylate
CID 142746953
tert-butyl 4-[[[2-(4-chlorophenyl)acetyl]-methylamino]methyl]piperidine-1-carboxylate
CID 110601429
tert-butyl (3S)-3-[[[(2S)-2-aminopropanoyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 96552158
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
tert-butyl 3-[[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647743

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate (CID 110606987) is tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate is Cc1onc(C(C)(C)C)c1C(=O)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate?
The InChIKey is LQNTUMXZDBZWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O4/c1-14-16(17(22-28-14)20(2,3)4)18(25)23(8)13-15-9-11-24(12-10-15)19(26)27-21(5,6)7/h15H,9-13H2,1-8H3.
What are the key properties of tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate has a molecular weight of 393.53 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 110606987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).