1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone

C17H25N3O — CID 103983370

IUPAC1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C2CCNCc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-14(21)19-9-4-10-20(12-11-19)17-7-8-18-13-15-5-2-3-6-16(15)17/h2-3,5-6,17-18H,4,7-13H2,1H3
InChIKeyZYIAICYTQFXMTQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.78
Rot. Bonds1

About 1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone

1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone (PubChem CID 103983370) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone
PubChem CID103983370
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C2CCNCc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-14(21)19-9-4-10-20(12-11-19)17-7-8-18-13-15-5-2-3-6-16(15)17/h2-3,5-6,17-18H,4,7-13H2,1H3
InChIKeyZYIAICYTQFXMTQ-UHFFFAOYSA-N
XLogP1.78
TPSA35.58 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone with MolForge

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Related Compounds

N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide
CID 103983216
5-(4-propan-2-ylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983221
[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol
CID 103983164
5-(4-benzylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 113361696
2-[methyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103983282
1-[4-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-1-yl]ethanone
CID 82958467
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382
N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
CID 103983445
pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone
CID 95590504
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethanone
CID 26394370
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103983111

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone (CID 103983370) is 1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(C2CCNCc3ccccc32)CC1.
What is the InChIKey of 1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is ZYIAICYTQFXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14(21)19-9-4-10-20(12-11-19)17-7-8-18-13-15-5-2-3-6-16(15)17/h2-3,5-6,17-18H,4,7-13H2,1H3.
What are the key properties of 1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone?
1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 287.41 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 103983370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).