8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione

C24H32N4O3 — CID 126543326

IUPAC8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCOC1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H32N4O3/c29-21-16-24(10-3-4-11-24)17-22(30)28(21)12-5-15-31-18-8-13-27(14-9-18)23-25-19-6-1-2-7-20(19)26-23/h1-2,6-7,18H,3-5,8-17H2,(H,25,26)
InChIKeySWSJTUGIOPQPJD-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.65
Rot. Bonds6

About 8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione

8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 126543326) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID126543326
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCOC1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H32N4O3/c29-21-16-24(10-3-4-11-24)17-22(30)28(21)12-5-15-31-18-8-13-27(14-9-18)23-25-19-6-1-2-7-20(19)26-23/h1-2,6-7,18H,3-5,8-17H2,(H,25,26)
InChIKeySWSJTUGIOPQPJD-UHFFFAOYSA-N
XLogP3.65
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-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

2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole
CID 133410848
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole
CID 75435540
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 46358989
[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate
CID 54562997
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496

Frequently Asked Questions

What is the IUPAC name of 8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione (CID 126543326) is 8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCOC1CCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is SWSJTUGIOPQPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c29-21-16-24(10-3-4-11-24)17-22(30)28(21)12-5-15-31-18-8-13-27(14-9-18)23-25-19-6-1-2-7-20(19)26-23/h1-2,6-7,18H,3-5,8-17H2,(H,25,26).
What are the key properties of 8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 424.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 126543326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).