4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione

C11H14N4O3 — CID 66062263

IUPAC4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cc(N)cn1C
InChIInChI=1S/C11H14N4O3/c1-6-10(17)13-9(16)5-15(6)11(18)8-3-7(12)4-14(8)2/h3-4,6H,5,12H2,1-2H3,(H,13,16,17)
InChIKeyYJRIJYFSVXVGLL-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.91
Rot. Bonds1

About 4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione

4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66062263) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66062263
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cc(N)cn1C
InChIInChI=1S/C11H14N4O3/c1-6-10(17)13-9(16)5-15(6)11(18)8-3-7(12)4-14(8)2/h3-4,6H,5,12H2,1-2H3,(H,13,16,17)
InChIKeyYJRIJYFSVXVGLL-UHFFFAOYSA-N
XLogP-0.91
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66063038
4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062108
3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione
CID 66061734
4-(4-bromo-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062932
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973133
4-(3-amino-4-chlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062454
4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66063081
4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66063821
4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062066
4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66074118

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione (CID 66062263) is 4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is YJRIJYFSVXVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-6-10(17)13-9(16)5-15(6)11(18)8-3-7(12)4-14(8)2/h3-4,6H,5,12H2,1-2H3,(H,13,16,17).
What are the key properties of 4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 250.26 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).