1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione

C10H17N3O3 — CID 64533654

IUPAC1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione
SMILESCN1CCN(CC2CNCCO2)C(=O)C1=O
InChIInChI=1S/C10H17N3O3/c1-12-3-4-13(10(15)9(12)14)7-8-6-11-2-5-16-8/h8,11H,2-7H2,1H3
InChIKeyGLQRPRPPAZQZQG-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.72
Rot. Bonds2

About 1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione

1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione (PubChem CID 64533654) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione
PubChem CID64533654
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione
SMILESCN1CCN(CC2CNCCO2)C(=O)C1=O
InChIInChI=1S/C10H17N3O3/c1-12-3-4-13(10(15)9(12)14)7-8-6-11-2-5-16-8/h8,11H,2-7H2,1H3
InChIKeyGLQRPRPPAZQZQG-UHFFFAOYSA-N
XLogP-1.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(oxiran-2-ylmethyl)piperazine-2,3-dione
CID 62929101
2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]morpholine
CID 63778262
4-(1-methylpyrrolidin-3-yl)-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980702
4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980688
2-[(4-methylpiperazin-1-yl)methyl]morpholine
CID 14627568
1-methyl-3-(morpholin-2-ylmethyl)imidazol-2-one
CID 80580840
1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104512049
2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
CID 6932395
4-(2-methylpropyl)-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980687
4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione
CID 104571039
2-(azetidin-1-ylmethyl)morpholine
CID 68846635
4-cyclohexyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980700

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione?
The IUPAC name of 1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione (CID 64533654) is 1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione?
The canonical SMILES for 1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione is CN1CCN(CC2CNCCO2)C(=O)C1=O.
What is the InChIKey of 1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione?
The InChIKey is GLQRPRPPAZQZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-12-3-4-13(10(15)9(12)14)7-8-6-11-2-5-16-8/h8,11H,2-7H2,1H3.
What are the key properties of 1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione?
1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione has a molecular weight of 227.26 g/mol, XLogP of -1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione is sourced from PubChem (CID 64533654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).