(1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one

C19H20N2O — CID 11818658

IUPAC(1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one
SMILESO=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]12CCCN2
InChIInChI=1S/C19H20N2O/c22-18-19(12-7-13-20-19)17(16-10-5-2-6-11-16)21(18)14-15-8-3-1-4-9-15/h1-6,8-11,17,20H,7,12-14H2/t17-,19+/m1/s1
InChIKeyIRLKLLLWRJPOCG-MJGOQNOKSA-N
MW292.38 g/mol
LogP2.89
Rot. Bonds3

About (1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one

(1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 11818658) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name(1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one
PubChem CID11818658
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one
SMILESO=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]12CCCN2
InChIInChI=1S/C19H20N2O/c22-18-19(12-7-13-20-19)17(16-10-5-2-6-11-16)21(18)14-15-8-3-1-4-9-15/h1-6,8-11,17,20H,7,12-14H2/t17-,19+/m1/s1
InChIKeyIRLKLLLWRJPOCG-MJGOQNOKSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-benzyl-4-(1-bromocyclopentyl)-3,3-dimethylazetidin-2-one
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2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
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(3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one
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(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
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methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
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CID 66575696
(6R)-7-benzyl-6-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
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CID 102599255

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of (1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one (CID 11818658) is (1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for (1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for (1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one is O=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]12CCCN2.
What is the InChIKey of (1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is IRLKLLLWRJPOCG-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H20N2O/c22-18-19(12-7-13-20-19)17(16-10-5-2-6-11-16)21(18)14-15-8-3-1-4-9-15/h1-6,8-11,17,20H,7,12-14H2/t17-,19+/m1/s1.
What are the key properties of (1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one?
(1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 292.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 11818658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).