methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate

C24H29FN2O2 — CID 45221496

IUPACmethyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC3(CCCN(Cc4ccccc4F)C3)C2)cc1
InChIInChI=1S/C24H29FN2O2/c1-29-23(28)20-9-7-19(8-10-20)15-27-14-12-24(18-27)11-4-13-26(17-24)16-21-5-2-3-6-22(21)25/h2-3,5-10H,4,11-18H2,1H3
InChIKeyLUQDHILYRBXXNN-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.10
Rot. Bonds5

About methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate

methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate (PubChem CID 45221496) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate
PubChem CID45221496
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Namemethyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC3(CCCN(Cc4ccccc4F)C3)C2)cc1
InChIInChI=1S/C24H29FN2O2/c1-29-23(28)20-9-7-19(8-10-20)15-27-14-12-24(18-27)11-4-13-26(17-24)16-21-5-2-3-6-22(21)25/h2-3,5-10H,4,11-18H2,1H3
InChIKeyLUQDHILYRBXXNN-UHFFFAOYSA-N
XLogP4.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate with MolForge

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Related Compounds

(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 42593843
methyl 4-[[(3S,5R)-4-[(2-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367045
2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 56710646
methyl 4-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]benzoate
CID 25452913
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 25373647
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
(5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane
CID 42461609
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
[(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone
CID 42461629
3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 26395243
1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 97411931
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25450891

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate (CID 45221496) is methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCC3(CCCN(Cc4ccccc4F)C3)C2)cc1.
What is the InChIKey of methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate?
The InChIKey is LUQDHILYRBXXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-29-23(28)20-9-7-19(8-10-20)15-27-14-12-24(18-27)11-4-13-26(17-24)16-21-5-2-3-6-22(21)25/h2-3,5-10H,4,11-18H2,1H3.
What are the key properties of methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate?
methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate has a molecular weight of 396.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate is sourced from PubChem (CID 45221496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).