4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one

C10H17N3O3 — CID 120918415

IUPAC4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H17N3O3/c1-7-9(12-3-5-16-7)10(15)13-4-2-11-8(14)6-13/h7,9,12H,2-6H2,1H3,(H,11,14)/t7-,9+/m1/s1
InChIKeyHLLCZCHWNHZALR-APPZFPTMSA-N
MW227.26 g/mol
LogP-1.68
Rot. Bonds1

About 4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one

4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one (PubChem CID 120918415) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one
PubChem CID120918415
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H17N3O3/c1-7-9(12-3-5-16-7)10(15)13-4-2-11-8(14)6-13/h7,9,12H,2-6H2,1H3,(H,11,14)/t7-,9+/m1/s1
InChIKeyHLLCZCHWNHZALR-APPZFPTMSA-N
XLogP-1.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
4-(oxetane-2-carbonyl)piperazin-2-one
CID 126989346
(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120932229
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
(2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide
CID 120938926
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120939440
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
4-(4-methylpiperidine-2-carbonyl)piperazin-2-one
CID 114422685

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one (CID 120918415) is 4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one is C[C@H]1OCCN[C@@H]1C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one?
The InChIKey is HLLCZCHWNHZALR-APPZFPTMSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7-9(12-3-5-16-7)10(15)13-4-2-11-8(14)6-13/h7,9,12H,2-6H2,1H3,(H,11,14)/t7-,9+/m1/s1.
What are the key properties of 4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one?
4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one has a molecular weight of 227.26 g/mol, XLogP of -1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 120918415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).