[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

C₁₅H₁₉N₃O₂ — CID 107523740

About [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 107523740) has the molecular formula C₁₅H₁₉N₃O₂ and a molecular weight of 273.34 g/mol. Its IUPAC name is [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
• PubChem CID: 107523740
• Molecular Formula: C₁₅H₁₉N₃O₂
• Molecular Weight: 273.34 g/mol
• Exact Mass: 273.15
• IUPAC Name: [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
• SMILES: NCC#Cc1cccnc1C(=O)N1CCCC(CO)C1
• InChI: InChI=1S/C15H19N3O2/c16-7-1-5-13-6-2-8-17-14(13)15(20)18-9-3-4-12(10-18)11-19/h2,6,8,12,19H,3-4,7,9-11,16H2
• InChIKey: RWDBDGATGZBYHM-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 79.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.34
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?

The IUPAC name of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 107523740) is [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

What is the SMILES notation for [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?

The canonical SMILES for [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is NCC#Cc1cccnc1C(=O)N1CCCC(CO)C1.

What is the InChIKey of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?

The InChIKey is RWDBDGATGZBYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-7-1-5-13-6-2-8-17-14(13)15(20)18-9-3-4-12(10-18)11-19/h2,6,8,12,19H,3-4,7,9-11,16H2.

What are the key properties of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?

[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 273.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107523740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107523740 — identifiers, structure, computed properties (public domain)

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