(5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C25H27FN2O4 — CID 129459763

IUPAC(5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1O[C@@]2(CCN(C(=O)C3(Cc4ccccc4F)CCOCC3)C2)CN1c1ccccc1
InChIInChI=1S/C25H27FN2O4/c26-21-9-5-4-6-19(21)16-24(11-14-31-15-12-24)22(29)27-13-10-25(17-27)18-28(23(30)32-25)20-7-2-1-3-8-20/h1-9H,10-18H2/t25-/m1/s1
InChIKeyYSFHTNDHZSGJLI-RUZDIDTESA-N
MW438.50 g/mol
LogP3.79
Rot. Bonds4

About (5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 129459763) has the molecular formula C25H27FN2O4 and a molecular weight of 438.50 g/mol. Its IUPAC name is (5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID129459763
Molecular FormulaC25H27FN2O4
Molecular Weight438.50 g/mol
Exact Mass438.20
IUPAC Name(5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1O[C@@]2(CCN(C(=O)C3(Cc4ccccc4F)CCOCC3)C2)CN1c1ccccc1
InChIInChI=1S/C25H27FN2O4/c26-21-9-5-4-6-19(21)16-24(11-14-31-15-12-24)22(29)27-13-10-25(17-27)18-28(23(30)32-25)20-7-2-1-3-8-20/h1-9H,10-18H2/t25-/m1/s1
InChIKeyYSFHTNDHZSGJLI-RUZDIDTESA-N
XLogP3.79
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-(4-benzyloxane-4-carbonyl)-3-(3-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124997373
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
(5S)-7-(4-benzyloxane-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125008158
1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide
CID 110090804
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 155986729
(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125016171
(5S)-7-[4-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carbonyl]-3-(4-methylphenyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129454047
3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 155986459
7-[2-(2-morpholin-4-ylethoxy)benzoyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110151711
(5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125022527

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 129459763) is (5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is O=C1O[C@@]2(CCN(C(=O)C3(Cc4ccccc4F)CCOCC3)C2)CN1c1ccccc1.
What is the InChIKey of (5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is YSFHTNDHZSGJLI-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27FN2O4/c26-21-9-5-4-6-19(21)16-24(11-14-31-15-12-24)22(29)27-13-10-25(17-27)18-28(23(30)32-25)20-7-2-1-3-8-20/h1-9H,10-18H2/t25-/m1/s1.
What are the key properties of (5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 438.50 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 129459763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).