[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone

C21H26N4O3 — CID 97271263

About [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 97271263) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

• Compound Name: [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
• PubChem CID: 97271263
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
• SMILES: COc1ccc2c(c1)OC[C@@H](CNC1CCN(C(=O)c3cnccn3)CC1)C2
• InChI: InChI=1S/C21H26N4O3/c1-27-18-3-2-16-10-15(14-28-20(16)11-18)12-24-17-4-8-25(9-5-17)21(26)19-13-22-6-7-23-19/h2-3,6-7,11,13,15,17,24H,4-5,8-10,12,14H2,1H3/t15-/m1/s1
• InChIKey: JNWIJMOWBWGCST-OAHLLOKOSA-N
• XLogP: 1.93
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?

The IUPAC name of [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 97271263) is [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone.

What is the SMILES notation for [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?

The canonical SMILES for [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone is COc1ccc2c(c1)OC[C@@H](CNC1CCN(C(=O)c3cnccn3)CC1)C2.

What is the InChIKey of [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?

The InChIKey is JNWIJMOWBWGCST-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-18-3-2-16-10-15(14-28-20(16)11-18)12-24-17-4-8-25(9-5-17)21(26)19-13-22-6-7-23-19/h2-3,6-7,11,13,15,17,24H,4-5,8-10,12,14H2,1H3/t15-/m1/s1.

What are the key properties of [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?

[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 382.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97271263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).