(6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H32N4O2 — CID 95895959

About (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95895959) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 95895959
• Molecular Formula: C19H32N4O2
• Molecular Weight: 348.49 g/mol
• Exact Mass: 348.25
• IUPAC Name: (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: COCCCN1C[C@]2(CCCN(CCn3ccc(C)n3)C2)CCC1=O
• InChI: InChI=1S/C19H32N4O2/c1-17-6-11-23(20-17)13-12-21-9-3-7-19(15-21)8-5-18(24)22(16-19)10-4-14-25-2/h6,11H,3-5,7-10,12-16H2,1-2H3/t19-/m1/s1
• InChIKey: XNZAQNWHHGEBFO-LJQANCHMSA-N
• XLogP: 1.93
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.49
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 95895959) is (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is COCCCN1C[C@]2(CCCN(CCn3ccc(C)n3)C2)CCC1=O.

What is the InChIKey of (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is XNZAQNWHHGEBFO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-17-6-11-23(20-17)13-12-21-9-3-7-19(15-21)8-5-18(24)22(16-19)10-4-14-25-2/h6,11H,3-5,7-10,12-16H2,1-2H3/t19-/m1/s1.

What are the key properties of (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.49 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95895959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).