2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C18H25FN2O2 — CID 91910477

IUPAC2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(=O)Cc2ccccc2F)CC12CCNCC2
InChIInChI=1S/C18H25FN2O2/c1-23-12-15-11-21(13-18(15)6-8-20-9-7-18)17(22)10-14-4-2-3-5-16(14)19/h2-5,15,20H,6-13H2,1H3
InChIKeyIKQIJVZLVIKKSY-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91910477) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91910477
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(=O)Cc2ccccc2F)CC12CCNCC2
InChIInChI=1S/C18H25FN2O2/c1-23-12-15-11-21(13-18(15)6-8-20-9-7-18)17(22)10-14-4-2-3-5-16(14)19/h2-5,15,20H,6-13H2,1H3
InChIKeyIKQIJVZLVIKKSY-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91910477) is 2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(=O)Cc2ccccc2F)CC12CCNCC2.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is IKQIJVZLVIKKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-23-12-15-11-21(13-18(15)6-8-20-9-7-18)17(22)10-14-4-2-3-5-16(14)19/h2-5,15,20H,6-13H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 320.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91910477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).