8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H24F2N2O3 — CID 139975937

IUPAC8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CC[C@H](Oc3ccc(F)cc3)c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C22H24F2N2O3/c23-17-3-1-16(2-4-17)20(28-19-7-5-18(24)6-8-19)9-12-26-13-10-22(11-14-26)15-25-21(27)29-22/h1-8,20H,9-15H2,(H,25,27)/t20-/m0/s1
InChIKeyYYQBMACVNJBDMA-FQEVSTJZSA-N
MW402.44 g/mol
LogP4.05
Rot. Bonds6

About 8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 139975937) has the molecular formula C22H24F2N2O3 and a molecular weight of 402.44 g/mol. Its IUPAC name is 8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID139975937
Molecular FormulaC22H24F2N2O3
Molecular Weight402.44 g/mol
Exact Mass402.18
IUPAC Name8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CC[C@H](Oc3ccc(F)cc3)c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C22H24F2N2O3/c23-17-3-1-16(2-4-17)20(28-19-7-5-18(24)6-8-19)9-12-26-13-10-22(11-14-26)15-25-21(27)29-22/h1-8,20H,9-15H2,(H,25,27)/t20-/m0/s1
InChIKeyYYQBMACVNJBDMA-FQEVSTJZSA-N
XLogP4.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 139975983
8-[3-(3,5-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 139975846
8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 139975845
4-[1-(4-fluorophenyl)-3-[3-(methylsulfanylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propoxy]benzonitrile
CID 24886527
8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 10114968
2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine
CID 58058011
8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66783967
8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 149431949
8-(2-hydroxy-2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 101161001
8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 149431956
2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154589259
4-[3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]propoxy]benzonitrile
CID 139975950

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 139975937) is 8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(CC[C@H](Oc3ccc(F)cc3)c3ccc(F)cc3)CC2)O1.
What is the InChIKey of 8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YYQBMACVNJBDMA-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24F2N2O3/c23-17-3-1-16(2-4-17)20(28-19-7-5-18(24)6-8-19)9-12-26-13-10-22(11-14-26)15-25-21(27)29-22/h1-8,20H,9-15H2,(H,25,27)/t20-/m0/s1.
What are the key properties of 8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 402.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 139975937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).