[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone

C23H29N3O2 — CID 143644245

About [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone

[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 143644245) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone
• PubChem CID: 143644245
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.23
• IUPAC Name: [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone
• SMILES: Cc1ccc(C(=O)N2CCC3(CC2)CN(C(C)C)C3c2ccc(O)cc2)cn1
• InChI: InChI=1S/C23H29N3O2/c1-16(2)26-15-23(21(26)18-6-8-20(27)9-7-18)10-12-25(13-11-23)22(28)19-5-4-17(3)24-14-19/h4-9,14,16,21,27H,10-13,15H2,1-3H3
• InChIKey: NWKMTNHBCKORBN-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 56.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone?

The IUPAC name of [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone (CID 143644245) is [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone.

What is the SMILES notation for [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone?

The canonical SMILES for [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCC3(CC2)CN(C(C)C)C3c2ccc(O)cc2)cn1.

What is the InChIKey of [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone?

The InChIKey is NWKMTNHBCKORBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(2)26-15-23(21(26)18-6-8-20(27)9-7-18)10-12-25(13-11-23)22(28)19-5-4-17(3)24-14-19/h4-9,14,16,21,27H,10-13,15H2,1-3H3.

What are the key properties of [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone?

[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 379.50 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 143644245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).