1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone

C22H31FN2O2 — CID 91922180

IUPAC1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C22H31FN2O2/c1-27-15-18-14-25(20-6-3-7-20)16-22(18)8-10-24(11-9-22)21(26)13-17-4-2-5-19(23)12-17/h2,4-5,12,18,20H,3,6-11,13-16H2,1H3
InChIKeyGBZBPIFXYMLCBL-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone

1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 91922180) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone
PubChem CID91922180
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C22H31FN2O2/c1-27-15-18-14-25(20-6-3-7-20)16-22(18)8-10-24(11-9-22)21(26)13-17-4-2-5-19(23)12-17/h2,4-5,12,18,20H,3,6-11,13-16H2,1H3
InChIKeyGBZBPIFXYMLCBL-UHFFFAOYSA-N
XLogP3.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone (CID 91922180) is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone is COCC1CN(C2CCC2)CC12CCN(C(=O)Cc1cccc(F)c1)CC2.
What is the InChIKey of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is GBZBPIFXYMLCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2/c1-27-15-18-14-25(20-6-3-7-20)16-22(18)8-10-24(11-9-22)21(26)13-17-4-2-5-19(23)12-17/h2,4-5,12,18,20H,3,6-11,13-16H2,1H3.
What are the key properties of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone?
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 374.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 91922180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).