3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone

C23H26N2O3 — CID 38383791

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-28-21-8-6-18(7-9-21)22(26)24-13-11-19(12-14-24)23(27)25-15-10-17-4-2-3-5-20(17)16-25/h2-9,19H,10-16H2,1H3
InChIKeyYRIVSSNOFNQEMI-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.13
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone (PubChem CID 38383791) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
PubChem CID38383791
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-28-21-8-6-18(7-9-21)22(26)24-13-11-19(12-14-24)23(27)25-15-10-17-4-2-3-5-20(17)16-25/h2-9,19H,10-16H2,1H3
InChIKeyYRIVSSNOFNQEMI-UHFFFAOYSA-N
XLogP3.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109047927
3,4-dihydro-1H-isoquinolin-2-yl-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 46565851
2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 46024083
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 34178153
(4S)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 42497316
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]methanone
CID 131917103
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-isoindol-1-one
CID 134790875
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone (CID 38383791) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone is COc1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is YRIVSSNOFNQEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-28-21-8-6-18(7-9-21)22(26)24-13-11-19(12-14-24)23(27)25-15-10-17-4-2-3-5-20(17)16-25/h2-9,19H,10-16H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 378.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 38383791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).