1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

C30H33FN2O3 — CID 42378887

IUPAC1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(CN2CCC3(CCC(=O)N3Cc3ccccc3F)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C30H33FN2O3/c1-35-28-19-24(11-12-27(28)36-22-23-7-3-2-4-8-23)20-32-17-15-30(16-18-32)14-13-29(34)33(30)21-25-9-5-6-10-26(25)31/h2-12,19H,13-18,20-22H2,1H3
InChIKeyVBUXDAYYDMBRRM-UHFFFAOYSA-N
MW488.60 g/mol
LogP5.57
Rot. Bonds8

About 1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 42378887) has the molecular formula C30H33FN2O3 and a molecular weight of 488.60 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID42378887
Molecular FormulaC30H33FN2O3
Molecular Weight488.60 g/mol
Exact Mass488.25
IUPAC Name1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(CN2CCC3(CCC(=O)N3Cc3ccccc3F)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C30H33FN2O3/c1-35-28-19-24(11-12-27(28)36-22-23-7-3-2-4-8-23)20-32-17-15-30(16-18-32)14-13-29(34)33(30)21-25-9-5-6-10-26(25)31/h2-12,19H,13-18,20-22H2,1H3
InChIKeyVBUXDAYYDMBRRM-UHFFFAOYSA-N
XLogP5.57
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
8-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-1-[(2-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 45206886
1-benzylsulfonyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 4647369
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 2902948
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
furan-2-yl-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 23793021
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 2880183

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 42378887) is 1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is COc1cc(CN2CCC3(CCC(=O)N3Cc3ccccc3F)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VBUXDAYYDMBRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN2O3/c1-35-28-19-24(11-12-27(28)36-22-23-7-3-2-4-8-23)20-32-17-15-30(16-18-32)14-13-29(34)33(30)21-25-9-5-6-10-26(25)31/h2-12,19H,13-18,20-22H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 488.60 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 42378887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).