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

C19H28N2O — CID 118740540

IUPAC2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
SMILESCC(C)C(=O)N1Cc2ccccc2CC2(CCCCN2C)C1
InChIInChI=1S/C19H28N2O/c1-15(2)18(22)21-13-17-9-5-4-8-16(17)12-19(14-21)10-6-7-11-20(19)3/h4-5,8-9,15H,6-7,10-14H2,1-3H3
InChIKeyFQFAANCCDLIYJM-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.08
Rot. Bonds1

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

2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one (PubChem CID 118740540) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
PubChem CID118740540
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
SMILESCC(C)C(=O)N1Cc2ccccc2CC2(CCCCN2C)C1
InChIInChI=1S/C19H28N2O/c1-15(2)18(22)21-13-17-9-5-4-8-16(17)12-19(14-21)10-6-7-11-20(19)3/h4-5,8-9,15H,6-7,10-14H2,1-3H3
InChIKeyFQFAANCCDLIYJM-UHFFFAOYSA-N
XLogP3.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-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 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one (CID 118740540) is 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one is CC(C)C(=O)N1Cc2ccccc2CC2(CCCCN2C)C1.
What is the InChIKey of 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
The InChIKey is FQFAANCCDLIYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15(2)18(22)21-13-17-9-5-4-8-16(17)12-19(14-21)10-6-7-11-20(19)3/h4-5,8-9,15H,6-7,10-14H2,1-3H3.
What are the key properties of 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one has a molecular weight of 300.45 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one is sourced from PubChem (CID 118740540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).