2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

C17H23FN2O3 — CID 131678981

IUPAC2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCOCCN1CCOCC2(CC(=O)N(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C17H23FN2O3/c1-22-8-6-19-7-9-23-13-17(11-19)10-16(21)20(12-17)15-4-2-14(18)3-5-15/h2-5H,6-13H2,1H3
InChIKeyLQANLTGJPBWANZ-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.53
Rot. Bonds4

About 2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (PubChem CID 131678981) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
PubChem CID131678981
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCOCCN1CCOCC2(CC(=O)N(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C17H23FN2O3/c1-22-8-6-19-7-9-23-13-17(11-19)10-16(21)20(12-17)15-4-2-14(18)3-5-15/h2-5H,6-13H2,1H3
InChIKeyLQANLTGJPBWANZ-UHFFFAOYSA-N
XLogP1.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131681265
2-(4-fluorophenyl)-10-(1-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155868455
(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472054
2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679450
(5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384827
(5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97406862
2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131640685
2-(2-methoxyethyl)-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131647411
10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155832619
2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 121229716
1-[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472026
1H-imidazol-5-yl-[11-(2-methoxyethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 155857741

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (CID 131678981) is 2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is COCCN1CCOCC2(CC(=O)N(c3ccc(F)cc3)C2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The InChIKey is LQANLTGJPBWANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-22-8-6-19-7-9-23-13-17(11-19)10-16(21)20(12-17)15-4-2-14(18)3-5-15/h2-5H,6-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one has a molecular weight of 322.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 131678981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).