1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone

C26H27N3O2 — CID 134806631

IUPAC1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CC(COc2ccccc2)C2(C1)CN(c1ccccc1)C2
InChIInChI=1S/C26H27N3O2/c30-25(15-22-9-7-8-14-27-22)28-16-21(17-31-24-12-5-2-6-13-24)26(18-28)19-29(20-26)23-10-3-1-4-11-23/h1-14,21H,15-20H2
InChIKeyXSAFZHSDVQHNRM-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.67
Rot. Bonds6

About 1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone

1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone (PubChem CID 134806631) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone
PubChem CID134806631
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CC(COc2ccccc2)C2(C1)CN(c1ccccc1)C2
InChIInChI=1S/C26H27N3O2/c30-25(15-22-9-7-8-14-27-22)28-16-21(17-31-24-12-5-2-6-13-24)26(18-28)19-29(20-26)23-10-3-1-4-11-23/h1-14,21H,15-20H2
InChIKeyXSAFZHSDVQHNRM-UHFFFAOYSA-N
XLogP3.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone with MolForge

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Related Compounds

3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine
CID 134806577
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
CID 112534802
1-[(3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridin-2-ylethanone
CID 97457942
1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone
CID 131687605
1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 79993365
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
1-[4-[(1R)-2,2-dichlorocyclopropanecarbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 95769741
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 91797332
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951

Frequently Asked Questions

What is the IUPAC name of 1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone (CID 134806631) is 1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CC(COc2ccccc2)C2(C1)CN(c1ccccc1)C2.
What is the InChIKey of 1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone?
The InChIKey is XSAFZHSDVQHNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-25(15-22-9-7-8-14-27-22)28-16-21(17-31-24-12-5-2-6-13-24)26(18-28)19-29(20-26)23-10-3-1-4-11-23/h1-14,21H,15-20H2.
What are the key properties of 1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone?
1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone has a molecular weight of 413.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 134806631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).