8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H22FN3O2 — CID 27622487

IUPAC8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)NC2(CCN(Cc3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C17H22FN3O2/c1-2-9-21-15(22)17(19-16(21)23)7-10-20(11-8-17)12-13-3-5-14(18)6-4-13/h3-6H,2,7-12H2,1H3,(H,19,23)
InChIKeyOMGXKFMGELWCOD-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.12
Rot. Bonds4

About 8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27622487) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27622487
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)NC2(CCN(Cc3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C17H22FN3O2/c1-2-9-21-15(22)17(19-16(21)23)7-10-20(11-8-17)12-13-3-5-14(18)6-4-13/h3-6H,2,7-12H2,1H3,(H,19,23)
InChIKeyOMGXKFMGELWCOD-UHFFFAOYSA-N
XLogP2.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[8-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetonitrile
CID 94753367
3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755094
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
CID 16896726
3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109408
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
9-[(4-fluorophenyl)methyl]-1-methyl-4-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373317
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46977039
4-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 155837858
3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82147866
2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide
CID 173148146

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27622487) is 8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCN1C(=O)NC2(CCN(Cc3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OMGXKFMGELWCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-2-9-21-15(22)17(19-16(21)23)7-10-20(11-8-17)12-13-3-5-14(18)6-4-13/h3-6H,2,7-12H2,1H3,(H,19,23).
What are the key properties of 8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 319.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27622487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).