1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone

C24H31N3O — CID 27101948

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone
SMILESCN(CC(=O)N1CCc2ccccc2C1)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C24H31N3O/c1-25(17-22-11-5-6-12-23(22)26-14-7-2-8-15-26)19-24(28)27-16-13-20-9-3-4-10-21(20)18-27/h3-6,9-12H,2,7-8,13-19H2,1H3
InChIKeyVCQSIHVFVGGWIL-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.69
Rot. Bonds5

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone (PubChem CID 27101948) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone
PubChem CID27101948
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone
SMILESCN(CC(=O)N1CCc2ccccc2C1)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C24H31N3O/c1-25(17-22-11-5-6-12-23(22)26-14-7-2-8-15-26)19-24(28)27-16-13-20-9-3-4-10-21(20)18-27/h3-6,9-12H,2,7-8,13-19H2,1H3
InChIKeyVCQSIHVFVGGWIL-UHFFFAOYSA-N
XLogP3.69
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 9297873
2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17441254
2-[3-aminopropyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81493173
2-[butyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 78791109
1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one
CID 60692160
N-(2,6-dimethylphenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetamide
CID 17498094
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone
CID 36966243
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464642
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylpropan-1-one
CID 110688293
2-[benzhydryl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 27071730

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone (CID 27101948) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone is CN(CC(=O)N1CCc2ccccc2C1)Cc1ccccc1N1CCCCC1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone?
The InChIKey is VCQSIHVFVGGWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-25(17-22-11-5-6-12-23(22)26-14-7-2-8-15-26)19-24(28)27-16-13-20-9-3-4-10-21(20)18-27/h3-6,9-12H,2,7-8,13-19H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone has a molecular weight of 377.53 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone is sourced from PubChem (CID 27101948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).