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

C17H25N3O — CID 118740602

IUPAC2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
SMILESCN1CCC2(CC1)Cc1ccccc1CN(C(=O)CN)C2
InChIInChI=1S/C17H25N3O/c1-19-8-6-17(7-9-19)10-14-4-2-3-5-15(14)12-20(13-17)16(21)11-18/h2-5H,6-13,18H2,1H3
InChIKeySBTNUKFMHIQNHV-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.24
Rot. Bonds1

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

2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone (PubChem CID 118740602) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
PubChem CID118740602
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
SMILESCN1CCC2(CC1)Cc1ccccc1CN(C(=O)CN)C2
InChIInChI=1S/C17H25N3O/c1-19-8-6-17(7-9-19)10-14-4-2-3-5-15(14)12-20(13-17)16(21)11-18/h2-5H,6-13,18H2,1H3
InChIKeySBTNUKFMHIQNHV-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-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

2-(4-methoxyphenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 134788121
1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)propan-1-one
CID 155900592
1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 155899632
phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
CID 134790585
N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide
CID 134791012
2-amino-1-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]ethanone
CID 127248082
1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
CID 134789096
1-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propan-1-one
CID 91919626
2-(2-fluorophenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 112534302
2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone
CID 134787447
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 55142370
1-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]ethanone
CID 134790197

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone?
The IUPAC name of 2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone (CID 118740602) is 2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone is CN1CCC2(CC1)Cc1ccccc1CN(C(=O)CN)C2.
What is the InChIKey of 2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone?
The InChIKey is SBTNUKFMHIQNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-8-6-17(7-9-19)10-14-4-2-3-5-15(14)12-20(13-17)16(21)11-18/h2-5H,6-13,18H2,1H3.
What are the key properties of 2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone?
2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone has a molecular weight of 287.41 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone is sourced from PubChem (CID 118740602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).