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

C17H24N2O — CID 118740542

IUPAC1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2CC2(CCCCN2C)C1
InChIInChI=1S/C17H24N2O/c1-14(20)19-12-16-8-4-3-7-15(16)11-17(13-19)9-5-6-10-18(17)2/h3-4,7-8H,5-6,9-13H2,1-2H3
InChIKeyZQRVFCFJGDFMKJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.45
Rot. Bonds

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

1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone (PubChem CID 118740542) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone.

Molecular Properties

Compound Name1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone
PubChem CID118740542
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2CC2(CCCCN2C)C1
InChIInChI=1S/C17H24N2O/c1-14(20)19-12-16-8-4-3-7-15(16)11-17(13-19)9-5-6-10-18(17)2/h3-4,7-8H,5-6,9-13H2,1-2H3
InChIKeyZQRVFCFJGDFMKJ-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Epsiprantel
CID 72026
Azaprocin
CID 6433185
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
3,8-Diazabicyclo(3.2.1)octane, 8-cinnamyl-3-propionyl-
CID 6433297
1-(4-Benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 718736
3-Methyl-1-[4-(4-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742522
1-Acetyl-4-(2,2-diphenylethyl)piperazine
CID 756869
3-Methyl-1-[4-(2-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 773338
1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone
CID 9549487
N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide
CID 137371461
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide
CID 156782597
1-{4-[(4-Fluorophenyl)methyl]piperazin-1-yl}propan-1-one
CID 19323503

Frequently Asked Questions

What is the IUPAC name of 1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone?
The IUPAC name of 1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone (CID 118740542) is 1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone.
What is the SMILES notation for 1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone?
The canonical SMILES for 1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone is CC(=O)N1Cc2ccccc2CC2(CCCCN2C)C1.
What is the InChIKey of 1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone?
The InChIKey is ZQRVFCFJGDFMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(20)19-12-16-8-4-3-7-15(16)11-17(13-19)9-5-6-10-18(17)2/h3-4,7-8H,5-6,9-13H2,1-2H3.
What are the key properties of 1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone?
1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone is sourced from PubChem (CID 118740542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).