1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one

C12H21N3O3 — CID 124693974

IUPAC1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one
SMILESC[C@@H]1CO[C@@H](C)CN1C(=O)CN1CCNCC1=O
InChIInChI=1S/C12H21N3O3/c1-9-8-18-10(2)6-15(9)12(17)7-14-4-3-13-5-11(14)16/h9-10,13H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyUTTVMXZEEUPDSR-ZJUUUORDSA-N
MW255.32 g/mol
LogP-0.95
Rot. Bonds2

About 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one

1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 124693974) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one
PubChem CID124693974
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one
SMILESC[C@@H]1CO[C@@H](C)CN1C(=O)CN1CCNCC1=O
InChIInChI=1S/C12H21N3O3/c1-9-8-18-10(2)6-15(9)12(17)7-14-4-3-13-5-11(14)16/h9-10,13H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyUTTVMXZEEUPDSR-ZJUUUORDSA-N
XLogP-0.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one (CID 124693974) is 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one is C[C@@H]1CO[C@@H](C)CN1C(=O)CN1CCNCC1=O.
What is the InChIKey of 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is UTTVMXZEEUPDSR-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9-8-18-10(2)6-15(9)12(17)7-14-4-3-13-5-11(14)16/h9-10,13H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one?
1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 255.32 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 124693974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).