N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide

C9H10N4O3 — CID 110475285

IUPACN-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide
SMILESO=C1CCC(NC(=O)c2cnc[nH]2)C(=O)N1
InChIInChI=1S/C9H10N4O3/c14-7-2-1-5(8(15)13-7)12-9(16)6-3-10-4-11-6/h3-5H,1-2H2,(H,10,11)(H,12,16)(H,13,14,15)
InChIKeyAHRLNLUFWCOJES-UHFFFAOYSA-N
MW222.20 g/mol
LogP-1.06
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide

N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide (PubChem CID 110475285) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide
PubChem CID110475285
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide
SMILESO=C1CCC(NC(=O)c2cnc[nH]2)C(=O)N1
InChIInChI=1S/C9H10N4O3/c14-7-2-1-5(8(15)13-7)12-9(16)6-3-10-4-11-6/h3-5H,1-2H2,(H,10,11)(H,12,16)(H,13,14,15)
InChIKeyAHRLNLUFWCOJES-UHFFFAOYSA-N
XLogP-1.06
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide (CID 110475285) is N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide is O=C1CCC(NC(=O)c2cnc[nH]2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide?
The InChIKey is AHRLNLUFWCOJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c14-7-2-1-5(8(15)13-7)12-9(16)6-3-10-4-11-6/h3-5H,1-2H2,(H,10,11)(H,12,16)(H,13,14,15).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide has a molecular weight of 222.20 g/mol, XLogP of -1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110475285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).