1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one

C24H30N4O — CID 92585194

About 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one

1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 92585194) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 92585194
• Molecular Formula: C24H30N4O
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.24
• IUPAC Name: 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one
• SMILES: CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN(C)Cc2ccccc2)C1
• InChI: InChI=1S/C24H30N4O/c1-3-22(29)28-14-8-11-19(16-28)23-21(20-12-7-13-25-24(20)26-23)17-27(2)15-18-9-5-4-6-10-18/h4-7,9-10,12-13,19H,3,8,11,14-17H2,1-2H3,(H,25,26)/t19-/m1/s1
• InChIKey: WAYYMRICDSPSIJ-LJQANCHMSA-N
• XLogP: 4.31
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one (CID 92585194) is 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN(C)Cc2ccccc2)C1.

What is the InChIKey of 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one?

The InChIKey is WAYYMRICDSPSIJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N4O/c1-3-22(29)28-14-8-11-19(16-28)23-21(20-12-7-13-25-24(20)26-23)17-27(2)15-18-9-5-4-6-10-18/h4-7,9-10,12-13,19H,3,8,11,14-17H2,1-2H3,(H,25,26)/t19-/m1/s1.

What are the key properties of 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one?

1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 390.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92585194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).