tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate

C17H31N3O4 — CID 98768098

IUPACtert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate
SMILESC[C@@H]1CN(CC(=O)N2CCO[C@@H](C)C2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H31N3O4/c1-13-10-18(6-7-20(13)16(22)24-17(3,4)5)12-15(21)19-8-9-23-14(2)11-19/h13-14H,6-12H2,1-5H3/t13-,14+/m1/s1
InChIKeyXZXHTOIMPXNPOI-KGLIPLIRSA-N
MW341.45 g/mol
LogP1.17
Rot. Bonds2

About tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate

tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 98768098) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID98768098
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Nametert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate
SMILESC[C@@H]1CN(CC(=O)N2CCO[C@@H](C)C2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H31N3O4/c1-13-10-18(6-7-20(13)16(22)24-17(3,4)5)12-15(21)19-8-9-23-14(2)11-19/h13-14H,6-12H2,1-5H3/t13-,14+/m1/s1
InChIKeyXZXHTOIMPXNPOI-KGLIPLIRSA-N
XLogP1.17
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl (2R)-4-(3-hydroxypropyl)-2-methylpiperazine-1-carboxylate
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tert-butyl (2R)-4-(3-ethoxy-3-oxopropyl)-2-methylpiperazine-1-carboxylate
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tert-butyl 4-[2-(3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-2-methylpiperazine-1-carboxylate
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2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate (CID 98768098) is tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate is C[C@@H]1CN(CC(=O)N2CCO[C@@H](C)C2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is XZXHTOIMPXNPOI-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-13-10-18(6-7-20(13)16(22)24-17(3,4)5)12-15(21)19-8-9-23-14(2)11-19/h13-14H,6-12H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate?
tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 341.45 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 98768098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).