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

C23H28N2O — CID 134787430

IUPAC1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2CC2(CCCCN2Cc2ccccc2)C1
InChIInChI=1S/C23H28N2O/c1-19(26)24-17-22-12-6-5-11-21(22)15-23(18-24)13-7-8-14-25(23)16-20-9-3-2-4-10-20/h2-6,9-12H,7-8,13-18H2,1H3
InChIKeyPIROLMCCXQYYAI-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.02
Rot. Bonds2

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

1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone (PubChem CID 134787430) 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-4,2'-piperidine]-2-yl)ethanone.

Molecular Properties

Compound Name1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone
PubChem CID134787430
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2CC2(CCCCN2Cc2ccccc2)C1
InChIInChI=1S/C23H28N2O/c1-19(26)24-17-22-12-6-5-11-21(22)15-23(18-24)13-7-8-14-25(23)16-20-9-3-2-4-10-20/h2-6,9-12H,7-8,13-18H2,1H3
InChIKeyPIROLMCCXQYYAI-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Epsiprantel
CID 72026
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
1-Piperidineacetamide, N-(diphenylmethyl)-
CID 216494
1-(2-Phenylethyl)-4-(phenylmethyl)-2,6-piperazinedione
CID 2259642
1-Benzhydryl-4-(chloroacetyl)piperazine
CID 357002
1-(4-Benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 718736
1-Acetyl-4-(2,2-diphenylethyl)piperazine
CID 756869
3-Methyl-1-[4-(2-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 773338
3-Methyl-1-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 773342
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4885140
3-[4-(Diphenylmethyl)piperazin-1-yl]-3-oxopropanenitrile
CID 741176

Frequently Asked Questions

What is the IUPAC name of 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone?
The IUPAC name of 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone (CID 134787430) is 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone.
What is the SMILES notation for 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone?
The canonical SMILES for 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone is CC(=O)N1Cc2ccccc2CC2(CCCCN2Cc2ccccc2)C1.
What is the InChIKey of 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone?
The InChIKey is PIROLMCCXQYYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-19(26)24-17-22-12-6-5-11-21(22)15-23(18-24)13-7-8-14-25(23)16-20-9-3-2-4-10-20/h2-6,9-12H,7-8,13-18H2,1H3.
What are the key properties of 1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone?
1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone has a molecular weight of 348.49 g/mol, XLogP of 4.02, 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-4,2'-piperidine]-2-yl)ethanone is sourced from PubChem (CID 134787430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).