8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C25H36FN3O3 — CID 140916850

IUPAC8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(CO)COC1)C(=O)N2CC1(F)CC1
InChIInChI=1S/C25H36FN3O3/c1-27(2)25(20-6-4-3-5-7-20)12-10-24(11-13-25)16-28(14-22(17-30)18-32-19-22)21(31)29(24)15-23(26)8-9-23/h3-7,30H,8-19H2,1-2H3
InChIKeyBGKKKNLMWMFSDH-UHFFFAOYSA-N
MW445.58 g/mol
LogP3.00
Rot. Bonds7

About 8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 140916850) has the molecular formula C25H36FN3O3 and a molecular weight of 445.58 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID140916850
Molecular FormulaC25H36FN3O3
Molecular Weight445.58 g/mol
Exact Mass445.27
IUPAC Name8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(CO)COC1)C(=O)N2CC1(F)CC1
InChIInChI=1S/C25H36FN3O3/c1-27(2)25(20-6-4-3-5-7-20)12-10-24(11-13-25)16-28(14-22(17-30)18-32-19-22)21(31)29(24)15-23(26)8-9-23/h3-7,30H,8-19H2,1-2H3
InChIKeyBGKKKNLMWMFSDH-UHFFFAOYSA-N
XLogP3.00
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.58
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1359
CID 130200636
US10793556, Example SC_5061
CID 130202916
US10738015, Example SC-33
CID 137407618
US10807989, Example SC_1347
CID 130200634
US10793528, Example SC_5072
CID 130200945
US10793556, Example SC_4007
CID 130202900
3-[8-(Dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 130200764
3-[1-(Cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanoic acid
CID 130201267
8-(Dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202960
1-(Cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202973
8-(Dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130210904

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 140916850) is 8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(CO)COC1)C(=O)N2CC1(F)CC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is BGKKKNLMWMFSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN3O3/c1-27(2)25(20-6-4-3-5-7-20)12-10-24(11-13-25)16-28(14-22(17-30)18-32-19-22)21(31)29(24)15-23(26)8-9-23/h3-7,30H,8-19H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 445.58 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 140916850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).