2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one

C23H33FN2O — CID 90876597

IUPAC2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCC(C)CCCN1C(=O)C(c2cccc(F)c2)=NC12CCC(C(C)C)CC2
InChIInChI=1S/C23H33FN2O/c1-16(2)7-6-14-26-22(27)21(19-8-5-9-20(24)15-19)25-23(26)12-10-18(11-13-23)17(3)4/h5,8-9,15-18H,6-7,10-14H2,1-4H3
InChIKeyAOMUBQYAZIDLBS-UHFFFAOYSA-N
MW372.53 g/mol
LogP5.44
Rot. Bonds6

About 2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one

2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one (PubChem CID 90876597) has the molecular formula C23H33FN2O and a molecular weight of 372.53 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one
PubChem CID90876597
Molecular FormulaC23H33FN2O
Molecular Weight372.53 g/mol
Exact Mass372.26
IUPAC Name2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCC(C)CCCN1C(=O)C(c2cccc(F)c2)=NC12CCC(C(C)C)CC2
InChIInChI=1S/C23H33FN2O/c1-16(2)7-6-14-26-22(27)21(19-8-5-9-20(24)15-19)25-23(26)12-10-18(11-13-23)17(3)4/h5,8-9,15-18H,6-7,10-14H2,1-4H3
InChIKeyAOMUBQYAZIDLBS-UHFFFAOYSA-N
XLogP5.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Tert-butyl-3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22428591
8-[2-(4-Fluorophenyl)acetyl]-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911531
3-(3-Fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22428590
8-Tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22428767
8-Methyl-3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 51358725
5-[(4-Tert-butylphenyl)methyl]-3-[(2-fluorophenyl)methyl]imidazole-2,4-dione
CID 145921660
N-(3-methylbutyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24994598
4-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
CID 24994912
4-[2-[3-[(Dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
CID 24996177
1-Ethyl-3-(4-fluorophenyl)pyrazin-2-one
CID 44477229
4-(2-Fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one
CID 57311158
4-(2-Oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
CID 58103842

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one?
The IUPAC name of 2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one (CID 90876597) is 2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one is CC(C)CCCN1C(=O)C(c2cccc(F)c2)=NC12CCC(C(C)C)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one?
The InChIKey is AOMUBQYAZIDLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O/c1-16(2)7-6-14-26-22(27)21(19-8-5-9-20(24)15-19)25-23(26)12-10-18(11-13-23)17(3)4/h5,8-9,15-18H,6-7,10-14H2,1-4H3.
What are the key properties of 2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one?
2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one has a molecular weight of 372.53 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(4-methylpentyl)-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-3-one is sourced from PubChem (CID 90876597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).