2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone

C24H25FN2O2 — CID 92606292

IUPAC2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2cnc([C@@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)cc2c1C
InChIInChI=1S/C24H25FN2O2/c1-16-21-13-22(26-14-18(21)8-9-23(16)29-2)19-6-4-10-27(15-19)24(28)12-17-5-3-7-20(25)11-17/h3,5,7-9,11,13-14,19H,4,6,10,12,15H2,1-2H3/t19-/m1/s1
InChIKeyWPWURLUXIQFSLY-LJQANCHMSA-N
MW392.47 g/mol
LogP4.64
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone (PubChem CID 92606292) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone
PubChem CID92606292
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2cnc([C@@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)cc2c1C
InChIInChI=1S/C24H25FN2O2/c1-16-21-13-22(26-14-18(21)8-9-23(16)29-2)19-6-4-10-27(15-19)24(28)12-17-5-3-7-20(25)11-17/h3,5,7-9,11,13-14,19H,4,6,10,12,15H2,1-2H3/t19-/m1/s1
InChIKeyWPWURLUXIQFSLY-LJQANCHMSA-N
XLogP4.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

(3,5-difluorophenyl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone
CID 110221278
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone
CID 110221285
2-(3-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103996
2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124998243
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115116
1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809333
1-[(3S)-3-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95806568
[(3S)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone
CID 95849481
2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 16671019
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone (CID 92606292) is 2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone is COc1ccc2cnc([C@@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)cc2c1C.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is WPWURLUXIQFSLY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-16-21-13-22(26-14-18(21)8-9-23(16)29-2)19-6-4-10-27(15-19)24(28)12-17-5-3-7-20(25)11-17/h3,5,7-9,11,13-14,19H,4,6,10,12,15H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 392.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92606292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).