[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone

C22H25Cl2N3O — CID 59686171

About [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone

[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone (PubChem CID 59686171) has the molecular formula C22H25Cl2N3O and a molecular weight of 418.37 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone
• PubChem CID: 59686171
• Molecular Formula: C22H25Cl2N3O
• Molecular Weight: 418.37 g/mol
• Exact Mass: 417.14
• IUPAC Name: [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone
• SMILES: CC(C)N1CC2(CCN(C(=O)c3cccnc3Cl)CC2)C1c1ccc(Cl)cc1
• InChI: InChI=1S/C22H25Cl2N3O/c1-15(2)27-14-22(19(27)16-5-7-17(23)8-6-16)9-12-26(13-10-22)21(28)18-4-3-11-25-20(18)24/h3-8,11,15,19H,9-10,12-14H2,1-2H3
• InChIKey: QCIIEYRMOWYUTN-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.37
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone?

The IUPAC name of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone (CID 59686171) is [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone.

What is the SMILES notation for [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone?

The canonical SMILES for [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone is CC(C)N1CC2(CCN(C(=O)c3cccnc3Cl)CC2)C1c1ccc(Cl)cc1.

What is the InChIKey of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone?

The InChIKey is QCIIEYRMOWYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c1-15(2)27-14-22(19(27)16-5-7-17(23)8-6-16)9-12-26(13-10-22)21(28)18-4-3-11-25-20(18)24/h3-8,11,15,19H,9-10,12-14H2,1-2H3.

What are the key properties of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone?

[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone has a molecular weight of 418.37 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(2-chloro-3-pyridinyl)methanone is sourced from PubChem (CID 59686171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).