tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate

C18H33N3O4 — CID 48713065

IUPACtert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCC1CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)O1
InChIInChI=1S/C18H33N3O4/c1-13-11-21(12-18(5,6)24-13)15(22)19-14-7-9-20(10-8-14)16(23)25-17(2,3)4/h13-14H,7-12H2,1-6H3,(H,19,22)
InChIKeyCXLXEEGTQDIJCX-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.59
Rot. Bonds1

About tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 48713065) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate
PubChem CID48713065
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Nametert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCC1CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)O1
InChIInChI=1S/C18H33N3O4/c1-13-11-21(12-18(5,6)24-13)15(22)19-14-7-9-20(10-8-14)16(23)25-17(2,3)4/h13-14H,7-12H2,1-6H3,(H,19,22)
InChIKeyCXLXEEGTQDIJCX-UHFFFAOYSA-N
XLogP2.59
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl 4-[[(4S)-4-methylazepane-1-carbonyl]amino]piperidine-1-carboxylate
CID 95041598
tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate
CID 126454930
N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 49132886
tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate
CID 171593485
N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide
CID 130668602
tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate
CID 171991186
tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
CID 130792843
tert-butyl (3R)-3-(oxan-4-ylcarbamoylamino)pyrrolidine-1-carboxylate
CID 97212425
tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate
CID 171505314
tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
CID 163284820

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate (CID 48713065) is tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate is CC1CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)O1.
What is the InChIKey of tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is CXLXEEGTQDIJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-13-11-21(12-18(5,6)24-13)15(22)19-14-7-9-20(10-8-14)16(23)25-17(2,3)4/h13-14H,7-12H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 355.48 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 48713065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).