1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one

C20H30N2O — CID 134789650

IUPAC1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one
SMILESCCN1CCCC2(Cc3ccccc3CN(C(=O)C(C)C)C2)C1
InChIInChI=1S/C20H30N2O/c1-4-21-11-7-10-20(14-21)12-17-8-5-6-9-18(17)13-22(15-20)19(23)16(2)3/h5-6,8-9,16H,4,7,10-15H2,1-3H3
InChIKeyXCWUHDMGLAXXOI-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.33
Rot. Bonds2

About 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one

1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one (PubChem CID 134789650) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one
PubChem CID134789650
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one
SMILESCCN1CCCC2(Cc3ccccc3CN(C(=O)C(C)C)C2)C1
InChIInChI=1S/C20H30N2O/c1-4-21-11-7-10-20(14-21)12-17-8-5-6-9-18(17)13-22(15-20)19(23)16(2)3/h5-6,8-9,16H,4,7,10-15H2,1-3H3
InChIKeyXCWUHDMGLAXXOI-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one with MolForge

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Related Compounds

3-Methyl-1-[4-(2-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 773338
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1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 2838111
1-(1,5,5-Trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
CID 2942724
N-(2-(1-benzylpiperidin-4-yl)ethyl)-N-methylacetamide
CID 9993507
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylacetamide
CID 14107038
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,3-dimethylbutanamide
CID 14107044
4-[(2-methylphenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-5-one
CID 44169938
4-[(2-Methylphenyl)methyl]-1-(3-phenylprop-2-enyl)-1,4-diazepan-5-one
CID 52944173
N-(1-benzylpiperidin-4-yl)-N-(2-phenylethyl)propanamide
CID 85574039
N-[(1-benzylpiperidin-4-yl)methyl]-N-propylacetamide
CID 145982223

Frequently Asked Questions

What is the IUPAC name of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one (CID 134789650) is 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one is CCN1CCCC2(Cc3ccccc3CN(C(=O)C(C)C)C2)C1.
What is the InChIKey of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one?
The InChIKey is XCWUHDMGLAXXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-4-21-11-7-10-20(14-21)12-17-8-5-6-9-18(17)13-22(15-20)19(23)16(2)3/h5-6,8-9,16H,4,7,10-15H2,1-3H3.
What are the key properties of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one?
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one has a molecular weight of 314.47 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 134789650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).