1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione

C12H15N3O3 — CID 117375751

IUPAC1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione
SMILESCONCc1ccccc1N1CCNC(=O)C1=O
InChIInChI=1S/C12H15N3O3/c1-18-14-8-9-4-2-3-5-10(9)15-7-6-13-11(16)12(15)17/h2-5,14H,6-8H2,1H3,(H,13,16)
InChIKeyLCGUJZAOKILFFD-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.20
Rot. Bonds4

About 1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione

1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione (PubChem CID 117375751) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione
PubChem CID117375751
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione
SMILESCONCc1ccccc1N1CCNC(=O)C1=O
InChIInChI=1S/C12H15N3O3/c1-18-14-8-9-4-2-3-5-10(9)15-7-6-13-11(16)12(15)17/h2-5,14H,6-8H2,1H3,(H,13,16)
InChIKeyLCGUJZAOKILFFD-UHFFFAOYSA-N
XLogP-0.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione
CID 117375750
N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 117343517
2-(2,3-dioxopiperazin-1-yl)benzonitrile
CID 117306341
1-[2-(5-amino-1H-pyrazol-4-yl)phenyl]piperazine-2,3-dione
CID 117430771
2-amino-2-[2-(2,3-dioxopiperazin-1-yl)phenyl]acetic acid
CID 117412032
4-(2-ethylphenyl)morpholine-2,3-dione
CID 117005510
1-(4-bromo-2-methylphenyl)piperazine-2,3-dione
CID 117026260
4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
CID 43281159
1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione
CID 117487288
N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine
CID 117314747
1-[(2-fluorophenyl)methyl]piperazine-2,3-dione
CID 56731477
3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one
CID 63602572

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione?
The IUPAC name of 1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione (CID 117375751) is 1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione?
The canonical SMILES for 1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione is CONCc1ccccc1N1CCNC(=O)C1=O.
What is the InChIKey of 1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione?
The InChIKey is LCGUJZAOKILFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-14-8-9-4-2-3-5-10(9)15-7-6-13-11(16)12(15)17/h2-5,14H,6-8H2,1H3,(H,13,16).
What are the key properties of 1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione?
1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione has a molecular weight of 249.27 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione is sourced from PubChem (CID 117375751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).