7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

C23H36N4O4S — CID 46335935

IUPAC7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCN(CCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1
InChIInChI=1S/C23H36N4O4S/c1-25(10-3-11-26-14-16-31-17-15-26)20-8-12-27(13-9-20)32(29,30)21-6-7-22-19(18-21)4-2-5-23(28)24-22/h6-7,18,20H,2-5,8-17H2,1H3,(H,24,28)
InChIKeyNAKQORFKHFSBCB-UHFFFAOYSA-N
MW464.63 g/mol
LogP1.77
Rot. Bonds7

About 7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 46335935) has the molecular formula C23H36N4O4S and a molecular weight of 464.63 g/mol. Its IUPAC name is 7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID46335935
Molecular FormulaC23H36N4O4S
Molecular Weight464.63 g/mol
Exact Mass464.25
IUPAC Name7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCN(CCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1
InChIInChI=1S/C23H36N4O4S/c1-25(10-3-11-26-14-16-31-17-15-26)20-8-12-27(13-9-20)32(29,30)21-6-7-22-19(18-21)4-2-5-23(28)24-22/h6-7,18,20H,2-5,8-17H2,1H3,(H,24,28)
InChIKeyNAKQORFKHFSBCB-UHFFFAOYSA-N
XLogP1.77
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

N-(1-methylpiperidin-4-yl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 53299009
7-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 119974817
6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 16677670
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
7-(4-benzylpiperazin-1-yl)sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 46282041
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8777856
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
ethyl 4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate
CID 46282016
7-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 94602506
4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284728
N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20937269

Frequently Asked Questions

What is the IUPAC name of 7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 46335935) is 7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is CN(CCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1.
What is the InChIKey of 7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is NAKQORFKHFSBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4S/c1-25(10-3-11-26-14-16-31-17-15-26)20-8-12-27(13-9-20)32(29,30)21-6-7-22-19(18-21)4-2-5-23(28)24-22/h6-7,18,20H,2-5,8-17H2,1H3,(H,24,28).
What are the key properties of 7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 464.63 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 46335935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).