2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone

C21H24N2O3 — CID 124980830

About 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone

2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone (PubChem CID 124980830) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
• PubChem CID: 124980830
• Molecular Formula: C21H24N2O3
• Molecular Weight: 352.43 g/mol
• Exact Mass: 352.18
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
• SMILES: Cc1cccc(C[C@@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)n1
• InChI: InChI=1S/C21H24N2O3/c1-15-5-2-7-17(22-15)13-16-6-4-10-23(14-16)21(24)18-8-3-9-19-20(18)26-12-11-25-19/h2-3,5,7-9,16H,4,6,10-14H2,1H3/t16-/m0/s1
• InChIKey: MLRYMFCVFPRJPO-INIZCTEOSA-N
• XLogP: 3.26
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.43
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?

The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone (CID 124980830) is 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone is Cc1cccc(C[C@@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)n1.

What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?

The InChIKey is MLRYMFCVFPRJPO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-5-2-7-17(22-15)13-16-6-4-10-23(14-16)21(24)18-8-3-9-19-20(18)26-12-11-25-19/h2-3,5,7-9,16H,4,6,10-14H2,1H3/t16-/m0/s1.

What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?

2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124980830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).