2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one

C20H20N2O3 — CID 137456015

IUPAC2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CN(C(=O)c3ccc(OCc4ccccc4)cc3)C2)N1
InChIInChI=1S/C20H20N2O3/c23-18-10-11-20(21-18)13-22(14-20)19(24)16-6-8-17(9-7-16)25-12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,23)
InChIKeyFIFYXDCTVYOEBI-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.37
Rot. Bonds4

About 2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one

2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 137456015) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one
PubChem CID137456015
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CN(C(=O)c3ccc(OCc4ccccc4)cc3)C2)N1
InChIInChI=1S/C20H20N2O3/c23-18-10-11-20(21-18)13-22(14-20)19(24)16-6-8-17(9-7-16)25-12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,23)
InChIKeyFIFYXDCTVYOEBI-UHFFFAOYSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120656242
2,7-diazaspiro[3.5]nonan-7-yl-(4-phenylmethoxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 172894977
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
4-phenylmethoxybenzoic acid
CID 68896574
(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 155318665
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351
benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 97169065
(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462347
2-amino-3-methoxy-1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120986280
2-[4-[3-(1,1-difluoro-2-methylprop-2-enoxy)phenyl]benzoyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137468500
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylmethoxyphenyl)methanone
CID 27515102

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one (CID 137456015) is 2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one is O=C1CCC2(CN(C(=O)c3ccc(OCc4ccccc4)cc3)C2)N1.
What is the InChIKey of 2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is FIFYXDCTVYOEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18-10-11-20(21-18)13-22(14-20)19(24)16-6-8-17(9-7-16)25-12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,23).
What are the key properties of 2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one?
2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 336.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137456015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).