3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione

C17H23N5O3 — CID 167470171

IUPAC3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione
SMILESCN1c2cc(N3CCNCC3)ccc2N(C2CCC(=O)NC2=O)C1O
InChIInChI=1S/C17H23N5O3/c1-20-14-10-11(21-8-6-18-7-9-21)2-3-12(14)22(17(20)25)13-4-5-15(23)19-16(13)24/h2-3,10,13,17-18,25H,4-9H2,1H3,(H,19,23,24)
InChIKeyWAQHDRIWZFOTGQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.57
Rot. Bonds2

About 3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione

3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 167470171) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione
PubChem CID167470171
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione
SMILESCN1c2cc(N3CCNCC3)ccc2N(C2CCC(=O)NC2=O)C1O
InChIInChI=1S/C17H23N5O3/c1-20-14-10-11(21-8-6-18-7-9-21)2-3-12(14)22(17(20)25)13-4-5-15(23)19-16(13)24/h2-3,10,13,17-18,25H,4-9H2,1H3,(H,19,23,24)
InChIKeyWAQHDRIWZFOTGQ-UHFFFAOYSA-N
XLogP-0.57
TPSA88.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170706486
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione
CID 156533490
3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione
CID 171618726
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;ethane;prop-1-ene
CID 142368742
3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione
CID 171618731
3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170749335
1-(cyclobutylmethyl)piperazine;3-[5-(4-hydroxypiperidin-1-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176963113
3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione
CID 135273233
tert-butyl N-[4-[[4-[2-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]ethynyl]piperidin-1-yl]methyl]phenyl]carbamate
CID 166753156
2-(2,6-dioxopiperidin-3-yl)-5-(3-piperazin-1-ylazetidin-1-yl)isoindole-1,3-dione;ethane
CID 156709609

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione (CID 167470171) is 3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione is CN1c2cc(N3CCNCC3)ccc2N(C2CCC(=O)NC2=O)C1O.
What is the InChIKey of 3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is WAQHDRIWZFOTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-20-14-10-11(21-8-6-18-7-9-21)2-3-12(14)22(17(20)25)13-4-5-15(23)19-16(13)24/h2-3,10,13,17-18,25H,4-9H2,1H3,(H,19,23,24).
What are the key properties of 3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione?
3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 345.40 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 167470171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).