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

C22H33N3O — CID 134787766

IUPAC2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone
SMILESNCC(=O)N1Cc2ccccc2CC2(CCCN(CC3CCCC3)C2)C1
InChIInChI=1S/C22H33N3O/c23-13-21(26)25-15-20-9-4-3-8-19(20)12-22(17-25)10-5-11-24(16-22)14-18-6-1-2-7-18/h3-4,8-9,18H,1-2,5-7,10-17,23H2
InChIKeyLMJURRYXBBWRNG-UHFFFAOYSA-N
MW355.53 g/mol
LogP2.80
Rot. Bonds3

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

2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone (PubChem CID 134787766) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone
PubChem CID134787766
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone
SMILESNCC(=O)N1Cc2ccccc2CC2(CCCN(CC3CCCC3)C2)C1
InChIInChI=1S/C22H33N3O/c23-13-21(26)25-15-20-9-4-3-8-19(20)12-22(17-25)10-5-11-24(16-22)14-18-6-1-2-7-18/h3-4,8-9,18H,1-2,5-7,10-17,23H2
InChIKeyLMJURRYXBBWRNG-UHFFFAOYSA-N
XLogP2.80
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone 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-((1-phenylcyclopentyl)methyl)-2-(piperidin-1-yl)acetamide hydrochloride
CID 16192743
2-(Cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547373
2-(dimethylamino)-1-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]ethanone
CID 134787327
1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one
CID 134788343
2-(2-Methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547370
2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide
CID 75403631
1'-[2-(Dimethylamino)acetyl]-2-methylspiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 97505959
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
3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one
CID 118740601
2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 118740602

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone?
The IUPAC name of 2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone (CID 134787766) is 2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone.
What is the SMILES notation for 2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone?
The canonical SMILES for 2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone is NCC(=O)N1Cc2ccccc2CC2(CCCN(CC3CCCC3)C2)C1.
What is the InChIKey of 2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone?
The InChIKey is LMJURRYXBBWRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c23-13-21(26)25-15-20-9-4-3-8-19(20)12-22(17-25)10-5-11-24(16-22)14-18-6-1-2-7-18/h3-4,8-9,18H,1-2,5-7,10-17,23H2.
What are the key properties of 2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone?
2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone has a molecular weight of 355.53 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone is sourced from PubChem (CID 134787766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).