(5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C26H29FN2O5 — CID 129454830

IUPAC(5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCOc1ccc(C2(C(=O)N3CC[C@@]4(C3)CN(c3ccc(F)cc3)C(=O)CO4)CCOCC2)cc1
InChIInChI=1S/C26H29FN2O5/c1-32-22-8-2-19(3-9-22)26(11-14-33-15-12-26)24(31)28-13-10-25(17-28)18-29(23(30)16-34-25)21-6-4-20(27)5-7-21/h2-9H,10-18H2,1H3/t25-/m1/s1
InChIKeyGFQCDEIATGKUMZ-RUZDIDTESA-N
MW468.53 g/mol
LogP2.92
Rot. Bonds4

About (5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

(5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 129454830) has the molecular formula C26H29FN2O5 and a molecular weight of 468.53 g/mol. Its IUPAC name is (5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID129454830
Molecular FormulaC26H29FN2O5
Molecular Weight468.53 g/mol
Exact Mass468.21
IUPAC Name(5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCOc1ccc(C2(C(=O)N3CC[C@@]4(C3)CN(c3ccc(F)cc3)C(=O)CO4)CCOCC2)cc1
InChIInChI=1S/C26H29FN2O5/c1-32-22-8-2-19(3-9-22)26(11-14-33-15-12-26)24(31)28-13-10-25(17-28)18-29(23(30)16-34-25)21-6-4-20(27)5-7-21/h2-9H,10-18H2,1H3/t25-/m1/s1
InChIKeyGFQCDEIATGKUMZ-RUZDIDTESA-N
XLogP2.92
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110149486
(5S)-7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 124979077
(5R)-7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 124979078
(5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 124970717
4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one
CID 70732476
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985994
4-(4-fluorophenyl)-9-(1-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986011
4-(4-fluorophenyl)-8-(2-methoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986165
4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999569
8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986175
8-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999575

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of (5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 129454830) is (5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for (5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is COc1ccc(C2(C(=O)N3CC[C@@]4(C3)CN(c3ccc(F)cc3)C(=O)CO4)CCOCC2)cc1.
What is the InChIKey of (5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is GFQCDEIATGKUMZ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29FN2O5/c1-32-22-8-2-19(3-9-22)26(11-14-33-15-12-26)24(31)28-13-10-25(17-28)18-29(23(30)16-34-25)21-6-4-20(27)5-7-21/h2-9H,10-18H2,1H3/t25-/m1/s1.
What are the key properties of (5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
(5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 468.53 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 129454830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).