8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one

C14H19N3O — CID 83853292

IUPAC8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C14H19N3O/c18-14-13-10-12(17-8-6-15-7-9-17)4-3-11(13)2-1-5-16-14/h3-4,10,15H,1-2,5-9H2,(H,16,18)
InChIKeyOZOKTDMWJZXJBQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.77
Rot. Bonds1

About 8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one

8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 83853292) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID83853292
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C14H19N3O/c18-14-13-10-12(17-8-6-15-7-9-17)4-3-11(13)2-1-5-16-14/h3-4,10,15H,1-2,5-9H2,(H,16,18)
InChIKeyOZOKTDMWJZXJBQ-UHFFFAOYSA-N
XLogP0.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-piperazin-1-yl-2,3-dihydroisoindol-1-one
CID 130366423
6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one
CID 175906940
7-piperazin-1-yl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 83853200
tert-butyl 4-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate
CID 10735270
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 52983751
2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 11240655
8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 82159405
8-(1-chloroethyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526384
1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one
CID 82514207
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
8-[chloro-(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526381
1-(3,4-dihydro-2H-chromen-6-yl)piperazine
CID 15485010

Frequently Asked Questions

What is the IUPAC name of 8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 83853292) is 8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one is O=C1NCCCc2ccc(N3CCNCC3)cc21.
What is the InChIKey of 8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is OZOKTDMWJZXJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-13-10-12(17-8-6-15-7-9-17)4-3-11(13)2-1-5-16-14/h3-4,10,15H,1-2,5-9H2,(H,16,18).
What are the key properties of 8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 245.33 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 83853292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).