2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide

C22H23FN4O3 — CID 16896726

IUPAC2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H23FN4O3/c23-17-6-8-18(9-7-17)24-19(28)15-27-20(29)22(25-21(27)30)10-12-26(13-11-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,24,28)(H,25,30)
InChIKeyOXKBAZJXSRCCQK-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.35
Rot. Bonds5

About 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide

2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 16896726) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
PubChem CID16896726
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H23FN4O3/c23-17-6-8-18(9-7-17)24-19(28)15-27-20(29)22(25-21(27)30)10-12-26(13-11-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,24,28)(H,25,30)
InChIKeyOXKBAZJXSRCCQK-UHFFFAOYSA-N
XLogP2.35
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(4-fluorophenyl)acetamide
CID 3662145
3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109408
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 4857041
N-(3,5-difluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 46665812
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41083816

Frequently Asked Questions

What is the IUPAC name of 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide (CID 16896726) is 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide is O=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is OXKBAZJXSRCCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-17-6-8-18(9-7-17)24-19(28)15-27-20(29)22(25-21(27)30)10-12-26(13-11-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,24,28)(H,25,30).
What are the key properties of 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide?
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 410.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16896726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).