1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one

C23H28N2O2 — CID 134787435

IUPAC1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one
SMILESCCOc1cccc(CN2CCCCC23Cc2ccccc2CNC3=O)c1
InChIInChI=1S/C23H28N2O2/c1-2-27-21-11-7-8-18(14-21)17-25-13-6-5-12-23(25)15-19-9-3-4-10-20(19)16-24-22(23)26/h3-4,7-11,14H,2,5-6,12-13,15-17H2,1H3,(H,24,26)
InChIKeyCOTJOFDSMOBHRM-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.68
Rot. Bonds4

About 1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one

1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one (PubChem CID 134787435) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one.

Molecular Properties

Compound Name1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one
PubChem CID134787435
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one
SMILESCCOc1cccc(CN2CCCCC23Cc2ccccc2CNC3=O)c1
InChIInChI=1S/C23H28N2O2/c1-2-27-21-11-7-8-18(14-21)17-25-13-6-5-12-23(25)15-19-9-3-4-10-20(19)16-24-22(23)26/h3-4,7-11,14H,2,5-6,12-13,15-17H2,1H3,(H,24,26)
InChIKeyCOTJOFDSMOBHRM-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one with MolForge

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Related Compounds

1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one
CID 134789246
1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
CID 134789199
1'-(pyridin-3-ylmethyl)spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
CID 118740605
1'-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
CID 134790376
1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134795243
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065761
1'-[(3,4-dimethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
CID 155901788
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
CID 118740606
1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64880512
9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62712156
2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 38106377

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one?
The IUPAC name of 1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one (CID 134787435) is 1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one.
What is the SMILES notation for 1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one?
The canonical SMILES for 1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one is CCOc1cccc(CN2CCCCC23Cc2ccccc2CNC3=O)c1.
What is the InChIKey of 1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one?
The InChIKey is COTJOFDSMOBHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-27-21-11-7-8-18(14-21)17-25-13-6-5-12-23(25)15-19-9-3-4-10-20(19)16-24-22(23)26/h3-4,7-11,14H,2,5-6,12-13,15-17H2,1H3,(H,24,26).
What are the key properties of 1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one?
1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one has a molecular weight of 364.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one is sourced from PubChem (CID 134787435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).