1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone

C22H25FN2O2 — CID 134805776

IUPAC1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOCC2(CN(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H25FN2O2/c23-20-8-6-18(7-9-20)12-21(26)25-10-11-27-17-22(16-25)14-24(15-22)13-19-4-2-1-3-5-19/h1-9H,10-17H2
InChIKeyONJTZETWJGFBAM-UHFFFAOYSA-N
MW368.45 g/mol
LogP2.73
Rot. Bonds4

About 1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone

1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 134805776) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone
PubChem CID134805776
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOCC2(CN(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H25FN2O2/c23-20-8-6-18(7-9-20)12-21(26)25-10-11-27-17-22(16-25)14-24(15-22)13-19-4-2-1-3-5-19/h1-9H,10-17H2
InChIKeyONJTZETWJGFBAM-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone (CID 134805776) is 1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCOCC2(CN(Cc3ccccc3)C2)C1.
What is the InChIKey of 1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is ONJTZETWJGFBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-20-8-6-18(7-9-20)12-21(26)25-10-11-27-17-22(16-25)14-24(15-22)13-19-4-2-1-3-5-19/h1-9H,10-17H2.
What are the key properties of 1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone?
1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 368.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-6-oxa-2,9-diazaspiro[3.6]decan-9-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 134805776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).