9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one

C18H25FN2O2 — CID 118745553

IUPAC9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(Cc1ccccc1F)C2
InChIInChI=1S/C18H25FN2O2/c1-23-12-11-21-17(22)7-9-18(21)8-4-10-20(14-18)13-15-5-2-3-6-16(15)19/h2-3,5-6H,4,7-14H2,1H3
InChIKeyZTNHTSXTLYZKRZ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.43
Rot. Bonds5

About 9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one

9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 118745553) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID118745553
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(Cc1ccccc1F)C2
InChIInChI=1S/C18H25FN2O2/c1-23-12-11-21-17(22)7-9-18(21)8-4-10-20(14-18)13-15-5-2-3-6-16(15)19/h2-3,5-6H,4,7-14H2,1H3
InChIKeyZTNHTSXTLYZKRZ-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 118745553) is 9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one is COCCN1C(=O)CCC12CCCN(Cc1ccccc1F)C2.
What is the InChIKey of 9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ZTNHTSXTLYZKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-23-12-11-21-17(22)7-9-18(21)8-4-10-20(14-18)13-15-5-2-3-6-16(15)19/h2-3,5-6H,4,7-14H2,1H3.
What are the key properties of 9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 320.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118745553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).