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

C13H15N3O4 — CID 66062108

IUPAC4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC(=O)c1cc(C(=O)N2CC(=O)NC(=O)C2C)n(C)c1
InChIInChI=1S/C13H15N3O4/c1-7-12(19)14-11(18)6-16(7)13(20)10-4-9(8(2)17)5-15(10)3/h4-5,7H,6H2,1-3H3,(H,14,18,19)
InChIKeyDGOXFDNINLSXKY-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.29
Rot. Bonds2

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

4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66062108) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66062108
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC(=O)c1cc(C(=O)N2CC(=O)NC(=O)C2C)n(C)c1
InChIInChI=1S/C13H15N3O4/c1-7-12(19)14-11(18)6-16(7)13(20)10-4-9(8(2)17)5-15(10)3/h4-5,7H,6H2,1-3H3,(H,14,18,19)
InChIKeyDGOXFDNINLSXKY-UHFFFAOYSA-N
XLogP-0.29
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione with MolForge

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Related Compounds

4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062263
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-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66063038
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973133
4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061337
4-(3-bromobenzoyl)-3-methylpiperazine-2,6-dione
CID 66061547
4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66063081
4-(1-ethyl-4-nitropyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061586
4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66062314
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione (CID 66062108) is 4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione is CC(=O)c1cc(C(=O)N2CC(=O)NC(=O)C2C)n(C)c1.
What is the InChIKey of 4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is DGOXFDNINLSXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-7-12(19)14-11(18)6-16(7)13(20)10-4-9(8(2)17)5-15(10)3/h4-5,7H,6H2,1-3H3,(H,14,18,19).
What are the key properties of 4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 277.28 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).