8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

C22H30N2O2 — CID 10428236

IUPAC8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2C1
InChIInChI=1S/C22H30N2O2/c25-20-15-22(10-3-4-11-22)16-21(26)24(20)13-6-5-12-23-14-9-18-7-1-2-8-19(18)17-23/h1-2,7-8H,3-6,9-17H2
InChIKeyNPACWPMACBPAAD-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.53
Rot. Bonds5

About 8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 10428236) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID10428236
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2C1
InChIInChI=1S/C22H30N2O2/c25-20-15-22(10-3-4-11-22)16-21(26)24(20)13-6-5-12-23-14-9-18-7-1-2-8-19(18)17-23/h1-2,7-8H,3-6,9-17H2
InChIKeyNPACWPMACBPAAD-UHFFFAOYSA-N
XLogP3.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione with MolForge

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Related Compounds

Praziquantel
CID 4891
Arpraziquantel
CID 445900
2-(2-Phenylethyl)-1,3(2H,4H)-isoquinolinedione
CID 713096
2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-one
CID 11286623
Praziquantel, (S)-
CID 1917817
Piperidine Derivative, 5j
CID 24776395
Piperidine Derivative, 5m
CID 24776398
1-Benzyl-4-methyl-3-propylpiperidine-2,6-dione
CID 3708751
2-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinoline-1,3(2H,4H)-dione
CID 10044206
2-(2-(1-benzylpiperidin-4-yl)ethyl)-3,4-dihydroisoquinolin-1(2H)-one
CID 10337833
2-[(1-Phenylmethyl-4-piperidyl)carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 14405661
1-[4-(1,3-Dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione
CID 134133064

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 10428236) is 8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2C1.
What is the InChIKey of 8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is NPACWPMACBPAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-20-15-22(10-3-4-11-22)16-21(26)24(20)13-6-5-12-23-14-9-18-7-1-2-8-19(18)17-23/h1-2,7-8H,3-6,9-17H2.
What are the key properties of 8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 354.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 10428236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).