2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one

C22H24N2O3 — CID 110085561

IUPAC2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccccc1C(=O)N1CCC(N2CCc3ccccc3C2=O)CC1
InChIInChI=1S/C22H24N2O3/c1-27-20-9-5-4-8-19(20)21(25)23-13-11-17(12-14-23)24-15-10-16-6-2-3-7-18(16)22(24)26/h2-9,17H,10-15H2,1H3
InChIKeyYTEGGCKWGLZIAQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.00
Rot. Bonds3

About 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one

2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one (PubChem CID 110085561) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one
PubChem CID110085561
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccccc1C(=O)N1CCC(N2CCc3ccccc3C2=O)CC1
InChIInChI=1S/C22H24N2O3/c1-27-20-9-5-4-8-19(20)21(25)23-13-11-17(12-14-23)24-15-10-16-6-2-3-7-18(16)22(24)26/h2-9,17H,10-15H2,1H3
InChIKeyYTEGGCKWGLZIAQ-UHFFFAOYSA-N
XLogP3.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
2-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-isoindol-1-one
CID 134790875
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321
[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394347
(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786960
(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736037
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one (CID 110085561) is 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one is COc1ccccc1C(=O)N1CCC(N2CCc3ccccc3C2=O)CC1.
What is the InChIKey of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is YTEGGCKWGLZIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-20-9-5-4-8-19(20)21(25)23-13-11-17(12-14-23)24-15-10-16-6-2-3-7-18(16)22(24)26/h2-9,17H,10-15H2,1H3.
What are the key properties of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one?
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 364.45 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 110085561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).