1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone

C23H28N2O — CID 155899632

IUPAC1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2CC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H28N2O/c1-19(26)25-17-22-10-6-5-9-21(22)15-23(18-25)11-13-24(14-12-23)16-20-7-3-2-4-8-20/h2-10H,11-18H2,1H3
InChIKeyNIYNHCFWFKVYGZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.87
Rot. Bonds2

About 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone

1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone (PubChem CID 155899632) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone.

Molecular Properties

Compound Name1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
PubChem CID155899632
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2CC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H28N2O/c1-19(26)25-17-22-10-6-5-9-21(22)15-23(18-25)11-13-24(14-12-23)16-20-7-3-2-4-8-20/h2-10H,11-18H2,1H3
InChIKeyNIYNHCFWFKVYGZ-UHFFFAOYSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenyl-1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]propan-1-one
CID 134789678
1-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]ethanone
CID 134790197
1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)propan-1-one
CID 155900592
phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
CID 134790585
2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 118740602
N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide
CID 134790120
1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 155900251
2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435738
1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone
CID 134788250
(1-benzyl-4-methylpiperidin-4-yl)-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]methanone
CID 124949773
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
2-(4-methoxyphenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 134788121

Frequently Asked Questions

What is the IUPAC name of 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone?
The IUPAC name of 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone (CID 155899632) is 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone.
What is the SMILES notation for 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone?
The canonical SMILES for 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone is CC(=O)N1Cc2ccccc2CC2(CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone?
The InChIKey is NIYNHCFWFKVYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-19(26)25-17-22-10-6-5-9-21(22)15-23(18-25)11-13-24(14-12-23)16-20-7-3-2-4-8-20/h2-10H,11-18H2,1H3.
What are the key properties of 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone?
1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone has a molecular weight of 348.49 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone is sourced from PubChem (CID 155899632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).