7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C24H28N2O2 — CID 21465114

IUPAC7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(C(=O)CN3CCC(Cc4ccccc4)CC3)ccc2N1
InChIInChI=1S/C24H28N2O2/c27-23(21-9-10-22-20(16-21)7-4-8-24(28)25-22)17-26-13-11-19(12-14-26)15-18-5-2-1-3-6-18/h1-3,5-6,9-10,16,19H,4,7-8,11-15,17H2,(H,25,28)
InChIKeySPSXFNLPSXGSGC-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.10
Rot. Bonds5

About 7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 21465114) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID21465114
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(C(=O)CN3CCC(Cc4ccccc4)CC3)ccc2N1
InChIInChI=1S/C24H28N2O2/c27-23(21-9-10-22-20(16-21)7-4-8-24(28)25-22)17-26-13-11-19(12-14-26)15-18-5-2-1-3-6-18/h1-3,5-6,9-10,16,19H,4,7-8,11-15,17H2,(H,25,28)
InChIKeySPSXFNLPSXGSGC-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

N-[(4-benzylcyclohexyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 58923659
N-[(1-benzylazepan-3-yl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 166214974
6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120862
3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one
CID 67713917
7-[2-[(3S)-3-benzylpiperidin-1-yl]-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride
CID 142663341
6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120821
N-[(2S)-1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92707489
6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 90054264
ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
CID 13136738
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-[[1-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperidin-4-yl]methyl]phenyl]urea
CID 68824210
ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride
CID 13136739
5-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetyl]-1,3-dihydroindol-2-one
CID 123962205

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 21465114) is 7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCCc2cc(C(=O)CN3CCC(Cc4ccccc4)CC3)ccc2N1.
What is the InChIKey of 7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is SPSXFNLPSXGSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23(21-9-10-22-20(16-21)7-4-8-24(28)25-22)17-26-13-11-19(12-14-26)15-18-5-2-1-3-6-18/h1-3,5-6,9-10,16,19H,4,7-8,11-15,17H2,(H,25,28).
What are the key properties of 7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 376.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 21465114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).