3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione

C17H20N4O3 — CID 176963181

IUPAC3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2cnc3c(N4CCC(O)CC4)cccc32)C(=O)N1
InChIInChI=1S/C17H20N4O3/c22-11-6-8-20(9-7-11)12-2-1-3-13-16(12)18-10-21(13)14-4-5-15(23)19-17(14)24/h1-3,10-11,14,22H,4-9H2,(H,19,23,24)
InChIKeyCELYROVFPMHKPS-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.98
Rot. Bonds2

About 3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione

3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 176963181) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione
PubChem CID176963181
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2cnc3c(N4CCC(O)CC4)cccc32)C(=O)N1
InChIInChI=1S/C17H20N4O3/c22-11-6-8-20(9-7-11)12-2-1-3-13-16(12)18-10-21(13)14-4-5-15(23)19-17(14)24/h1-3,10-11,14,22H,4-9H2,(H,19,23,24)
InChIKeyCELYROVFPMHKPS-UHFFFAOYSA-N
XLogP0.98
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548
3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 156837320
3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one
CID 170129221
3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione
CID 153310417
3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-4-carbaldehyde
CID 165136850
3-[4-(4-aminopiperidin-1-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 156823555
3-[6-(4-hydroxypiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162742094
3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 166994674
3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155177543
3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione
CID 156533490

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione (CID 176963181) is 3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione is O=C1CCC(n2cnc3c(N4CCC(O)CC4)cccc32)C(=O)N1.
What is the InChIKey of 3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is CELYROVFPMHKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-11-6-8-20(9-7-11)12-2-1-3-13-16(12)18-10-21(13)14-4-5-15(23)19-17(14)24/h1-3,10-11,14,22H,4-9H2,(H,19,23,24).
What are the key properties of 3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione?
3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 328.37 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 176963181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).