3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H28FN3O3 — CID 166615143

IUPAC3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CC(C)C)C2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C21H28FN3O3/c1-4-24-19(27)21(25(20(24)28)14-15(2)3)8-10-23(11-9-21)18(26)13-16-6-5-7-17(22)12-16/h5-7,12,15H,4,8-11,13-14H2,1-3H3
InChIKeyNURLRKHAADSHBR-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.67
Rot. Bonds5

About 3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166615143) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is 3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166615143
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CC(C)C)C2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C21H28FN3O3/c1-4-24-19(27)21(25(20(24)28)14-15(2)3)8-10-23(11-9-21)18(26)13-16-6-5-7-17(22)12-16/h5-7,12,15H,4,8-11,13-14H2,1-3H3
InChIKeyNURLRKHAADSHBR-UHFFFAOYSA-N
XLogP2.67
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[2-(2,4-difluorophenyl)acetyl]-3-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428635
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166617344
3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623583
8-(4-chloro-1-methylpyrrole-2-carbonyl)-3-ethyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613314
3-ethyl-8-(2-hydroxy-4-methoxybenzoyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623046
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166622379
1-benzyl-8-[2-(2,2-difluorocyclopropyl)acetyl]-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166622607
8-acetyl-1-(2-methylpropyl)-3-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623714
2-(3-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203850

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166615143) is 3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(CC(C)C)C2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1=O.
What is the InChIKey of 3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is NURLRKHAADSHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-4-24-19(27)21(25(20(24)28)14-15(2)3)8-10-23(11-9-21)18(26)13-16-6-5-7-17(22)12-16/h5-7,12,15H,4,8-11,13-14H2,1-3H3.
What are the key properties of 3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 389.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166615143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).