(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone

C22H25FN2O — CID 72866137

IUPAC(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCN1CC(c2ccccc2)CC12CCN(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H25FN2O/c1-24-16-19(17-5-3-2-4-6-17)15-22(24)11-13-25(14-12-22)21(26)18-7-9-20(23)10-8-18/h2-10,19H,11-16H2,1H3
InChIKeyOMBCWANUYHTQRO-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.92
Rot. Bonds2

About (4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone

(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 72866137) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is (4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID72866137
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCN1CC(c2ccccc2)CC12CCN(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H25FN2O/c1-24-16-19(17-5-3-2-4-6-17)15-22(24)11-13-25(14-12-22)21(26)18-7-9-20(23)10-8-18/h2-10,19H,11-16H2,1H3
InChIKeyOMBCWANUYHTQRO-UHFFFAOYSA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97283105
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione
CID 97453749
(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72926028
(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
CID 72843342
(E)-1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pent-3-en-1-one
CID 97276986
(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97272470
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-4-ylethanone
CID 97271298
(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97188134
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506
methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate
CID 97278100
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
CID 97272698

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone (CID 72866137) is (4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone is CN1CC(c2ccccc2)CC12CCN(C(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of (4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is OMBCWANUYHTQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-24-16-19(17-5-3-2-4-6-17)15-22(24)11-13-25(14-12-22)21(26)18-7-9-20(23)10-8-18/h2-10,19H,11-16H2,1H3.
What are the key properties of (4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 352.45 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 72866137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).