1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one

C24H36N2O2 — CID 134791215

IUPAC1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one
SMILESCCCC(=O)N1Cc2ccccc2CC2(CCCCN2CC2CCOCC2)C1
InChIInChI=1S/C24H36N2O2/c1-2-7-23(27)25-18-22-9-4-3-8-21(22)16-24(19-25)12-5-6-13-26(24)17-20-10-14-28-15-11-20/h3-4,8-9,20H,2,5-7,10-19H2,1H3
InChIKeyIZVKGSYSHOUCMQ-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.02
Rot. Bonds4

About 1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one

1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one (PubChem CID 134791215) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one
PubChem CID134791215
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one
SMILESCCCC(=O)N1Cc2ccccc2CC2(CCCCN2CC2CCOCC2)C1
InChIInChI=1S/C24H36N2O2/c1-2-7-23(27)25-18-22-9-4-3-8-21(22)16-24(19-25)12-5-6-13-26(24)17-20-10-14-28-15-11-20/h3-4,8-9,20H,2,5-7,10-19H2,1H3
InChIKeyIZVKGSYSHOUCMQ-UHFFFAOYSA-N
XLogP4.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[1-(2-methylbenzyl)-3-oxo-2-piperazinyl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 24817644
2-(Cyclohex-3-ene-1-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547376
2-(2-Methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547370
2-(Oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547377
Ethyl 1-[2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47054134
2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
CID 118740540
1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone
CID 118740542
cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone
CID 118740545
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one
CID 134787842
1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]ethanone
CID 134790922
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone
CID 134787255
cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone
CID 134787331

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one?
The IUPAC name of 1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one (CID 134791215) is 1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one.
What is the SMILES notation for 1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one?
The canonical SMILES for 1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one is CCCC(=O)N1Cc2ccccc2CC2(CCCCN2CC2CCOCC2)C1.
What is the InChIKey of 1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one?
The InChIKey is IZVKGSYSHOUCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-2-7-23(27)25-18-22-9-4-3-8-21(22)16-24(19-25)12-5-6-13-26(24)17-20-10-14-28-15-11-20/h3-4,8-9,20H,2,5-7,10-19H2,1H3.
What are the key properties of 1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one?
1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one has a molecular weight of 384.56 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butan-1-one is sourced from PubChem (CID 134791215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).