7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one

C24H27N3O4 — CID 124803702

IUPAC7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one
SMILESCOc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCCC[C@@H]1c1cccnc1)C=C2
InChIInChI=1S/C24H27N3O4/c1-30-21-12-17-8-11-26(23(28)14-19(17)13-22(21)31-2)16-24(29)27-10-4-3-7-20(27)18-6-5-9-25-15-18/h5-6,8-9,11-13,15,20H,3-4,7,10,14,16H2,1-2H3/t20-/m1/s1
InChIKeySARJRQGFVLGOCU-HXUWFJFHSA-N
MW421.50 g/mol
LogP3.21
Rot. Bonds5

About 7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one

7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one (PubChem CID 124803702) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one.

Molecular Properties

Compound Name7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one
PubChem CID124803702
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one
SMILESCOc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCCC[C@@H]1c1cccnc1)C=C2
InChIInChI=1S/C24H27N3O4/c1-30-21-12-17-8-11-26(23(28)14-19(17)13-22(21)31-2)16-24(29)27-10-4-3-7-20(27)18-6-5-9-25-15-18/h5-6,8-9,11-13,15,20H,3-4,7,10,14,16H2,1-2H3/t20-/m1/s1
InChIKeySARJRQGFVLGOCU-HXUWFJFHSA-N
XLogP3.21
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one with MolForge

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Related Compounds

7,8-dimethoxy-3-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-3-benzazepin-2-one
CID 97488818
6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one
CID 124802468
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
7,8-dimethoxy-2-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]phthalazin-1-one
CID 162864521
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
CID 162891653
(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 129354842
3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 47000546
3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one?
The IUPAC name of 7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one (CID 124803702) is 7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one.
What is the SMILES notation for 7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one?
The canonical SMILES for 7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one is COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCCC[C@@H]1c1cccnc1)C=C2.
What is the InChIKey of 7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one?
The InChIKey is SARJRQGFVLGOCU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-30-21-12-17-8-11-26(23(28)14-19(17)13-22(21)31-2)16-24(29)27-10-4-3-7-20(27)18-6-5-9-25-15-18/h5-6,8-9,11-13,15,20H,3-4,7,10,14,16H2,1-2H3/t20-/m1/s1.
What are the key properties of 7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one?
7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one has a molecular weight of 421.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one is sourced from PubChem (CID 124803702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).