3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione

C24H33N5O4 — CID 146598524

IUPAC3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC(OC4CCNCC4)CC3)c21
InChIInChI=1S/C24H33N5O4/c1-27-22-16(15-28-13-9-18(10-14-28)33-17-7-11-25-12-8-17)3-2-4-19(22)29(24(27)32)20-5-6-21(30)26-23(20)31/h2-4,17-18,20,25H,5-15H2,1H3,(H,26,30,31)
InChIKeyBAEKDZAZCJIEPE-UHFFFAOYSA-N
MW455.56 g/mol
LogP1.05
Rot. Bonds5

About 3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione

3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 146598524) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione
PubChem CID146598524
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Name3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC(OC4CCNCC4)CC3)c21
InChIInChI=1S/C24H33N5O4/c1-27-22-16(15-28-13-9-18(10-14-28)33-17-7-11-25-12-8-17)3-2-4-19(22)29(24(27)32)20-5-6-21(30)26-23(20)31/h2-4,17-18,20,25H,5-15H2,1H3,(H,26,30,31)
InChIKeyBAEKDZAZCJIEPE-UHFFFAOYSA-N
XLogP1.05
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione (CID 146598524) is 3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC(OC4CCNCC4)CC3)c21.
What is the InChIKey of 3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is BAEKDZAZCJIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-27-22-16(15-28-13-9-18(10-14-28)33-17-7-11-25-12-8-17)3-2-4-19(22)29(24(27)32)20-5-6-21(30)26-23(20)31/h2-4,17-18,20,25H,5-15H2,1H3,(H,26,30,31).
What are the key properties of 3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione?
3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 455.56 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 146598524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).