1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione

C18H22FNO3 — CID 97151104

IUPAC1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCC[C@@]2(CCOC2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO3/c19-15-4-2-14(3-5-15)16(21)6-7-17(22)20-10-1-8-18(12-20)9-11-23-13-18/h2-5H,1,6-13H2/t18-/m1/s1
InChIKeyHUQHBBWTCMHBNR-GOSISDBHSA-N
MW319.38 g/mol
LogP2.82
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione

1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione (PubChem CID 97151104) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione
PubChem CID97151104
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCC[C@@]2(CCOC2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO3/c19-15-4-2-14(3-5-15)16(21)6-7-17(22)20-10-1-8-18(12-20)9-11-23-13-18/h2-5H,1,6-13H2/t18-/m1/s1
InChIKeyHUQHBBWTCMHBNR-GOSISDBHSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione with MolForge

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Related Compounds

1-(4-fluorophenyl)-4-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butane-1,4-dione
CID 70718148
3-(1H-indol-3-yl)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97122997
1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 97145730
1-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-4-(4-fluorophenyl)butane-1,4-dione
CID 70717810
2-(4-methylsulfonylphenyl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97125075
1-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)butane-1,4-dione
CID 110310053
1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 72907067
7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70738862
(E)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]-3-phenylprop-2-en-1-one
CID 97128224
(E)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-3-phenylprop-2-en-1-one
CID 72880194
(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 118786071
3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97115570

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione (CID 97151104) is 1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione is O=C(CCC(=O)N1CCC[C@@]2(CCOC2)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione?
The InChIKey is HUQHBBWTCMHBNR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22FNO3/c19-15-4-2-14(3-5-15)16(21)6-7-17(22)20-10-1-8-18(12-20)9-11-23-13-18/h2-5H,1,6-13H2/t18-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione?
1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione has a molecular weight of 319.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione is sourced from PubChem (CID 97151104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).