8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one

C24H30FN3O2 — CID 130200930

IUPAC8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)cc1
InChIInChI=1S/C24H30FN3O2/c1-27(2)24(19-5-4-6-20(25)15-19)13-11-23(12-14-24)17-28(22(29)26-23)16-18-7-9-21(30-3)10-8-18/h4-10,15H,11-14,16-17H2,1-3H3,(H,26,29)
InChIKeyBGEAEALXBNWGJY-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.13
Rot. Bonds5

About 8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200930) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200930
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)cc1
InChIInChI=1S/C24H30FN3O2/c1-27(2)24(19-5-4-6-20(25)15-19)13-11-23(12-14-24)17-28(22(29)26-23)16-18-7-9-21(30-3)10-8-18/h4-10,15H,11-14,16-17H2,1-3H3,(H,26,29)
InChIKeyBGEAEALXBNWGJY-UHFFFAOYSA-N
XLogP4.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one (CID 130200930) is 8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)cc1.
What is the InChIKey of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is BGEAEALXBNWGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-27(2)24(19-5-4-6-20(25)15-19)13-11-23(12-14-24)17-28(22(29)26-23)16-18-7-9-21(30-3)10-8-18/h4-10,15H,11-14,16-17H2,1-3H3,(H,26,29).
What are the key properties of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 411.52 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).