2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C19H25F3N2O2 — CID 71844273

IUPAC2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCOc1cccc2c1CCCCN2CC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H25F3N2O2/c1-26-17-9-4-8-16-15(17)7-2-3-10-23(16)13-18(25)24-11-5-6-14(12-24)19(20,21)22/h4,8-9,14H,2-3,5-7,10-13H2,1H3
InChIKeyXDXWAKPRPFGIEI-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.64
Rot. Bonds3

About 2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 71844273) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID71844273
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCOc1cccc2c1CCCCN2CC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H25F3N2O2/c1-26-17-9-4-8-16-15(17)7-2-3-10-23(16)13-18(25)24-11-5-6-14(12-24)19(20,21)22/h4,8-9,14H,2-3,5-7,10-13H2,1H3
InChIKeyXDXWAKPRPFGIEI-UHFFFAOYSA-N
XLogP3.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87012618
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 56828575
(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 25161591
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
2-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 91647973
2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 120757230
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 78639794
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 46655966
(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 78987895
[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl] 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 71887718
2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62101229

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 71844273) is 2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is COc1cccc2c1CCCCN2CC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is XDXWAKPRPFGIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-26-17-9-4-8-16-15(17)7-2-3-10-23(16)13-18(25)24-11-5-6-14(12-24)19(20,21)22/h4,8-9,14H,2-3,5-7,10-13H2,1H3.
What are the key properties of 2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 370.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71844273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).