(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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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).