3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione

C16H15N3O4 — CID 171488084

IUPAC3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(CO)cccc4n3C2=O)C(=O)N1
InChIInChI=1S/C16H15N3O4/c20-8-9-2-1-3-12-11(9)6-10-7-18(16(23)19(10)12)13-4-5-14(21)17-15(13)22/h1-3,6,13,20H,4-5,7-8H2,(H,17,21,22)
InChIKeyPNIAJELPUBNQCL-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.72
Rot. Bonds2

About 3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione

3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione (PubChem CID 171488084) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione
PubChem CID171488084
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(CO)cccc4n3C2=O)C(=O)N1
InChIInChI=1S/C16H15N3O4/c20-8-9-2-1-3-12-11(9)6-10-7-18(16(23)19(10)12)13-4-5-14(21)17-15(13)22/h1-3,6,13,20H,4-5,7-8H2,(H,17,21,22)
InChIKeyPNIAJELPUBNQCL-UHFFFAOYSA-N
XLogP0.72
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[7-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 171781790
3-[7-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155292389
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
3-[7-[4-(hydroxymethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167940424
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-(3-methylindol-1-yl)piperidine-2,6-dione
CID 138467080
3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714655
2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[(2-naphthalen-1-ylacetyl)amino]methyl]phenyl]methyl]-1-oxo-3H-isoindole-5-carboxamide
CID 167275669
3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione
CID 144735375
3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten
CID 157092608
3-[3-methyl-2-oxo-4-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691
3-[4-[[4-(aminomethyl)-4-(hydroxymethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716296

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione (CID 171488084) is 3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc4c(CO)cccc4n3C2=O)C(=O)N1.
What is the InChIKey of 3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione?
The InChIKey is PNIAJELPUBNQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-8-9-2-1-3-12-11(9)6-10-7-18(16(23)19(10)12)13-4-5-14(21)17-15(13)22/h1-3,6,13,20H,4-5,7-8H2,(H,17,21,22).
What are the key properties of 3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione?
3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione has a molecular weight of 313.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)-1-oxo-3H-imidazo[1,5-a]indol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171488084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).