1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one

C24H31N3O — CID 74229715

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one (PubChem CID 74229715) 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)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one
• PubChem CID: 74229715
• Molecular Formula: C24H31N3O
• Molecular Weight: 377.53 g/mol
• Exact Mass: 377.25
• IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one
• SMILES: Cc1cccc(CN2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)n1
• InChI: InChI=1S/C24H31N3O/c1-19-5-4-8-23(25-19)18-26-14-11-20(12-15-26)9-10-24(28)27-16-13-21-6-2-3-7-22(21)17-27/h2-8,20H,9-18H2,1H3
• InChIKey: IIKBVJWEUXGPTG-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.53
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one?

The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one (CID 74229715) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one.

What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one?

The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one is Cc1cccc(CN2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)n1.

What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one?

The InChIKey is IIKBVJWEUXGPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-19-5-4-8-23(25-19)18-26-14-11-20(12-15-26)9-10-24(28)27-16-13-21-6-2-3-7-22(21)17-27/h2-8,20H,9-18H2,1H3.

What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one?

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one has a molecular weight of 377.53 g/mol, XLogP of 3.97, 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)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 74229715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).