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

C20H30N2O — CID 134787842

IUPAC1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one
SMILESCCN1CCCCC12Cc1ccccc1CN(C(=O)C(C)C)C2
InChIInChI=1S/C20H30N2O/c1-4-22-12-8-7-11-20(22)13-17-9-5-6-10-18(17)14-21(15-20)19(23)16(2)3/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3
InChIKeyZMBVRZXYMOFFRA-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.47
Rot. Bonds2

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

1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one (PubChem CID 134787842) 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-4,2'-piperidine]-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one
PubChem CID134787842
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one
SMILESCCN1CCCCC12Cc1ccccc1CN(C(=O)C(C)C)C2
InChIInChI=1S/C20H30N2O/c1-4-22-12-8-7-11-20(22)13-17-9-5-6-10-18(17)14-21(15-20)19(23)16(2)3/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3
InChIKeyZMBVRZXYMOFFRA-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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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-Benzhydryl-4-(cyclopropylcarbonyl)piperazine
CID 902950
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-Benzyl-4-(cyclopropylcarbonyl)piperazine
CID 1220050

Frequently Asked Questions

What is the IUPAC name of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one (CID 134787842) is 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one is CCN1CCCCC12Cc1ccccc1CN(C(=O)C(C)C)C2.
What is the InChIKey of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one?
The InChIKey is ZMBVRZXYMOFFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-4-22-12-8-7-11-20(22)13-17-9-5-6-10-18(17)14-21(15-20)19(23)16(2)3/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3.
What are the key properties of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one?
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one has a molecular weight of 314.47 g/mol, XLogP of 3.47, 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-4,2'-piperidine]-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 134787842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).