3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide

C21H32N4O2 — CID 120578975

About 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120578975) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide
• PubChem CID: 120578975
• Molecular Formula: C21H32N4O2
• Molecular Weight: 372.51 g/mol
• Exact Mass: 372.25
• IUPAC Name: 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide
• SMILES: CC(C(=O)N1CCCCC1CNC(=O)CCN)N1CCc2ccccc2C1
• InChI: InChI=1S/C21H32N4O2/c1-16(24-13-10-17-6-2-3-7-18(17)15-24)21(27)25-12-5-4-8-19(25)14-23-20(26)9-11-22/h2-3,6-7,16,19H,4-5,8-15,22H2,1H3,(H,23,26)
• InChIKey: GDCVEORYXGFTBC-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 78.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.51
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide?

The IUPAC name of 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide (CID 120578975) is 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide.

What is the SMILES notation for 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide?

The canonical SMILES for 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide is CC(C(=O)N1CCCCC1CNC(=O)CCN)N1CCc2ccccc2C1.

What is the InChIKey of 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide?

The InChIKey is GDCVEORYXGFTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16(24-13-10-17-6-2-3-7-18(17)15-24)21(27)25-12-5-4-8-19(25)14-23-20(26)9-11-22/h2-3,6-7,16,19H,4-5,8-15,22H2,1H3,(H,23,26).

What are the key properties of 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide?

3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 372.51 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120578975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).