(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C24H25FN2O3 — CID 125016171

IUPAC(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)CN1c1ccccc1
InChIInChI=1S/C24H25FN2O3/c25-19-8-6-7-18(15-19)24(11-4-5-12-24)21(28)26-14-13-23(16-26)17-27(22(29)30-23)20-9-2-1-3-10-20/h1-3,6-10,15H,4-5,11-14,16-17H2/t23-/m0/s1
InChIKeyWYSTXBOXDJQCQH-QHCPKHFHSA-N
MW408.47 g/mol
LogP4.27
Rot. Bonds3

About (5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 125016171) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is (5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID125016171
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)CN1c1ccccc1
InChIInChI=1S/C24H25FN2O3/c25-19-8-6-7-18(15-19)24(11-4-5-12-24)21(28)26-14-13-23(16-26)17-27(22(29)30-23)20-9-2-1-3-10-20/h1-3,6-10,15H,4-5,11-14,16-17H2/t23-/m0/s1
InChIKeyWYSTXBOXDJQCQH-QHCPKHFHSA-N
XLogP4.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 155986489
10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 132772818
3-benzyl-7-[4-(3-fluorophenyl)oxane-4-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110148617
(5S)-7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 124979077
7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110149486
(5R)-7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 124979078
3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119259632
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
(5S)-7-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125018428
6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174632
(5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129459763
(5S)-9-(4-benzyloxane-4-carbonyl)-3-(3-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124997373

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 125016171) is (5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is O=C1O[C@]2(CCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)CN1c1ccccc1.
What is the InChIKey of (5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is WYSTXBOXDJQCQH-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25FN2O3/c25-19-8-6-7-18(15-19)24(11-4-5-12-24)21(28)26-14-13-23(16-26)17-27(22(29)30-23)20-9-2-1-3-10-20/h1-3,6-10,15H,4-5,11-14,16-17H2/t23-/m0/s1.
What are the key properties of (5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 408.47 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 125016171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).