8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one

C24H28F2N2O2 — CID 52943120

IUPAC8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C24H28F2N2O2/c1-30-17-16-28-15-12-24(23(28)29)10-13-27(14-11-24)22(18-2-6-20(25)7-3-18)19-4-8-21(26)9-5-19/h2-9,22H,10-17H2,1H3
InChIKeyBJGONMZCKQGCQD-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.02
Rot. Bonds6

About 8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one

8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 52943120) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID52943120
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC Name8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C24H28F2N2O2/c1-30-17-16-28-15-12-24(23(28)29)10-13-27(14-11-24)22(18-2-6-20(25)7-3-18)19-4-8-21(26)9-5-19/h2-9,22H,10-17H2,1H3
InChIKeyBJGONMZCKQGCQD-UHFFFAOYSA-N
XLogP4.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 52943120) is 8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of 8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is BJGONMZCKQGCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O2/c1-30-17-16-28-15-12-24(23(28)29)10-13-27(14-11-24)22(18-2-6-20(25)7-3-18)19-4-8-21(26)9-5-19/h2-9,22H,10-17H2,1H3.
What are the key properties of 8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 414.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 52943120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).