1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one

C22H23FN2O2 — CID 42371262

IUPAC1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C(c1ccc(F)cc1)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-18(7-9-19)21(27)24-14-12-22(13-15-24)11-10-20(26)25(22)16-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyFMELJPPEQMLHPD-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.62
Rot. Bonds3

About 1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one

1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 42371262) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID42371262
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C(c1ccc(F)cc1)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-18(7-9-19)21(27)24-14-12-22(13-15-24)11-10-20(26)25(22)16-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyFMELJPPEQMLHPD-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493911
1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493907
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
(2S)-2-benzyl-8-(4-chlorobenzoyl)-4-[(4-fluorophenyl)methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 67165898
(2S)-2-benzyl-4-[(4-fluorophenyl)methyl]-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93143579
1-benzyl-8-[2-(cyclohexen-1-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 26344303
8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131691598
1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42472580
1-benzyl-8-(2-hydroxyethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155862188
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
1-[(4-methoxyphenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684831

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one (CID 42371262) is 1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one is O=C(c1ccc(F)cc1)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FMELJPPEQMLHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-19-8-6-18(7-9-19)21(27)24-14-12-22(13-15-24)11-10-20(26)25(22)16-17-4-2-1-3-5-17/h1-9H,10-16H2.
What are the key properties of 1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one?
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 366.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 42371262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).