2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

C22H32FN3O2 — CID 70724925

IUPAC2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCCN(C(=O)CCc3ccccc3F)C2)CCC1=O
InChIInChI=1S/C22H32FN3O2/c1-24(2)14-15-26-17-22(12-10-21(26)28)11-5-13-25(16-22)20(27)9-8-18-6-3-4-7-19(18)23/h3-4,6-7H,5,8-17H2,1-2H3
InChIKeyOXTSEVSNODTKPS-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.55
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70724925) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70724925
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC Name2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCCN(C(=O)CCc3ccccc3F)C2)CCC1=O
InChIInChI=1S/C22H32FN3O2/c1-24(2)14-15-26-17-22(12-10-21(26)28)11-5-13-25(16-22)20(27)9-8-18-6-3-4-7-19(18)23/h3-4,6-7H,5,8-17H2,1-2H3
InChIKeyOXTSEVSNODTKPS-UHFFFAOYSA-N
XLogP2.55
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744129
(6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96578486
(6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872441
1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 124968832
2-(2-hydroxyethyl)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72874354
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896292
(6R)-8-[2-(N-methylanilino)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97286005
8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70744817
8-[3-(1H-benzimidazol-2-yl)propanoyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72849590
8-[2-(4-fluorophenyl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729809
2-[2-(dimethylamino)ethyl]-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70742722
(6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870785

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70724925) is 2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is CN(C)CCN1CC2(CCCN(C(=O)CCc3ccccc3F)C2)CCC1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is OXTSEVSNODTKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-24(2)14-15-26-17-22(12-10-21(26)28)11-5-13-25(16-22)20(27)9-8-18-6-3-4-7-19(18)23/h3-4,6-7H,5,8-17H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 389.52 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70724925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).