2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

C16H23N3O3 — CID 97394423

About 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (PubChem CID 97394423) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
• PubChem CID: 97394423
• Molecular Formula: C16H23N3O3
• Molecular Weight: 305.38 g/mol
• Exact Mass: 305.17
• IUPAC Name: 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
• SMILES: CN(C)CC(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1
• InChI: InChI=1S/C16H23N3O3/c1-18(2)10-15(20)19-7-5-16(12-19)8-14(11-21-16)22-13-4-3-6-17-9-13/h3-4,6,9,14H,5,7-8,10-12H2,1-2H3/t14-,16+/m1/s1
• InChIKey: ATAAXPFOLVMUFV-ZBFHGGJFSA-N
• XLogP: 0.78
• TPSA: 54.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.38
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?

The IUPAC name of 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (CID 97394423) is 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.

What is the SMILES notation for 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?

The canonical SMILES for 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is CN(C)CC(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1.

What is the InChIKey of 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?

The InChIKey is ATAAXPFOLVMUFV-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-18(2)10-15(20)19-7-5-16(12-19)8-14(11-21-16)22-13-4-3-6-17-9-13/h3-4,6,9,14H,5,7-8,10-12H2,1-2H3/t14-,16+/m1/s1.

What are the key properties of 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?

2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone has a molecular weight of 305.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is sourced from PubChem (CID 97394423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).