tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate

C17H31N3O4 — CID 136571494

IUPACtert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate
SMILESCNC(=O)C1CN(CC2CCCCN2C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C17H31N3O4/c1-17(2,3)24-16(22)20-8-6-5-7-13(20)11-19-9-10-23-14(12-19)15(21)18-4/h13-14H,5-12H2,1-4H3,(H,18,21)
InChIKeyLCIGTHMKDBNELG-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.22
Rot. Bonds3

About tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate

tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate (PubChem CID 136571494) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate
PubChem CID136571494
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Nametert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate
SMILESCNC(=O)C1CN(CC2CCCCN2C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C17H31N3O4/c1-17(2,3)24-16(22)20-8-6-5-7-13(20)11-19-9-10-23-14(12-19)15(21)18-4/h13-14H,5-12H2,1-4H3,(H,18,21)
InChIKeyLCIGTHMKDBNELG-UHFFFAOYSA-N
XLogP1.22
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate (CID 136571494) is tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate is CNC(=O)C1CN(CC2CCCCN2C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate?
The InChIKey is LCIGTHMKDBNELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-17(2,3)24-16(22)20-8-6-5-7-13(20)11-19-9-10-23-14(12-19)15(21)18-4/h13-14H,5-12H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate has a molecular weight of 341.45 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-(methylcarbamoyl)morpholin-4-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 136571494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).