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

C12H16N4O3 — CID 66063038

IUPAC4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCCn1cc(N)cc1C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C12H16N4O3/c1-3-15-5-8(13)4-9(15)12(19)16-6-10(17)14-11(18)7(16)2/h4-5,7H,3,6,13H2,1-2H3,(H,14,17,18)
InChIKeyARBQWIWUNKXZDV-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.42
Rot. Bonds2

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

4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66063038) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66063038
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCCn1cc(N)cc1C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C12H16N4O3/c1-3-15-5-8(13)4-9(15)12(19)16-6-10(17)14-11(18)7(16)2/h4-5,7H,3,6,13H2,1-2H3,(H,14,17,18)
InChIKeyARBQWIWUNKXZDV-UHFFFAOYSA-N
XLogP-0.42
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.42
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-bromo-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062932
4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062263
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-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062108
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione
CID 66061734
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
4-(3-amino-4-chlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062454
4-(3-bromobenzoyl)-3-methylpiperazine-2,6-dione
CID 66061547
4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66063821

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione (CID 66063038) is 4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione is CCn1cc(N)cc1C(=O)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is ARBQWIWUNKXZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-15-5-8(13)4-9(15)12(19)16-6-10(17)14-11(18)7(16)2/h4-5,7H,3,6,13H2,1-2H3,(H,14,17,18).
What are the key properties of 4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione?
4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 264.28 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66063038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).