(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane

C139H222F3N23O2 — CID 160798891

About (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane

(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane (PubChem CID 160798891) has the molecular formula C139H222F3N23O2 and a molecular weight of 2304.46 g/mol. Its IUPAC name is (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane
• PubChem CID: 160798891
• Molecular Formula: C139H222F3N23O2
• Molecular Weight: 2304.46 g/mol
• Exact Mass: 2302.79
• IUPAC Name: (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane
• SMILES: CC(C)(C)N1CC2(CCN(c3ccncc3)CC2)C1.CC(C)(C)N1CCC2(CCC(O)(c3ccncc3)CC2)C1.CC(C)(C)N1CCC2(CCCN(c3ccncc3)C2)C1.CC(C)(C)N1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)C1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)CC1.CC(C)(C)N1CCCC2(CCN(c3ccncc3)C2)C1.CN1CCN(C(=O)C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1
• InChI: InChI=1S/C20H37N3O.C18H26F3N3.C18H28N2O.3C17H27N3.2C16H25N3/c1-19(2,3)23-11-9-20(10-12-23)7-5-17(6-8-20)18(24)22-15-13-21(4)14-16-22;1-16(2,3)24-11-7-17(13-24)5-9-23(10-6-17)14-4-8-22-15(12-14)18(19,20)21;1-16(2,3)20-13-10-17(14-20)6-8-18(21,9-7-17)15-4-11-19-12-5-15;1-16(2,3)20-12-7-17(8-13-20)6-11-19(14-17)15-4-9-18-10-5-15;1-16(2,3)20-11-4-7-17(14-20)8-12-19(13-17)15-5-9-18-10-6-15;1-16(2,3)20-12-8-17(14-20)7-4-11-19(13-17)15-5-9-18-10-6-15;1-15(2,3)19-11-7-16(13-19)6-10-18(12-16)14-4-8-17-9-5-14;1-15(2,3)19-12-16(13-19)6-10-18(11-7-16)14-4-8-17-9-5-14/h17H,5-16H2,1-4H3;4,8,12H,5-7,9-11,13H2,1-3H3;4-5,11-12,21H,6-10,13-14H2,1-3H3;4-5,9-10H,6-8,11-14H2,1-3H3;2*5-6,9-10H,4,7-8,11-14H2,1-3H3;2*4-5,8-9H,6-7,10-13H2,1-3H3
• InChIKey: SCULURVPEKJVBK-UHFFFAOYSA-N
• XLogP: 25.44
• TPSA: 179.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2304.46
LogP ≤ 5	25.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?

The IUPAC name of (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane (CID 160798891) is (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane.

What is the SMILES notation for (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?

The canonical SMILES for (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane is CC(C)(C)N1CC2(CCN(c3ccncc3)CC2)C1.CC(C)(C)N1CCC2(CCC(O)(c3ccncc3)CC2)C1.CC(C)(C)N1CCC2(CCCN(c3ccncc3)C2)C1.CC(C)(C)N1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)C1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)CC1.CC(C)(C)N1CCCC2(CCN(c3ccncc3)C2)C1.CN1CCN(C(=O)C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1.

What is the InChIKey of (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?

The InChIKey is SCULURVPEKJVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O.C18H26F3N3.C18H28N2O.3C17H27N3.2C16H25N3/c1-19(2,3)23-11-9-20(10-12-23)7-5-17(6-8-20)18(24)22-15-13-21(4)14-16-22;1-16(2,3)24-11-7-17(13-24)5-9-23(10-6-17)14-4-8-22-15(12-14)18(19,20)21;1-16(2,3)20-13-10-17(14-20)6-8-18(21,9-7-17)15-4-11-19-12-5-15;1-16(2,3)20-12-7-17(8-13-20)6-11-19(14-17)15-4-9-18-10-5-15;1-16(2,3)20-11-4-7-17(14-20)8-12-19(13-17)15-5-9-18-10-6-15;1-16(2,3)20-12-8-17(14-20)7-4-11-19(13-17)15-5-9-18-10-6-15;1-15(2,3)19-11-7-16(13-19)6-10-18(12-16)14-4-8-17-9-5-14;1-15(2,3)19-12-16(13-19)6-10-18(11-7-16)14-4-8-17-9-5-14/h17H,5-16H2,1-4H3;4,8,12H,5-7,9-11,13H2,1-3H3;4-5,11-12,21H,6-10,13-14H2,1-3H3;4-5,9-10H,6-8,11-14H2,1-3H3;2*5-6,9-10H,4,7-8,11-14H2,1-3H3;2*4-5,8-9H,6-7,10-13H2,1-3H3.

What are the key properties of (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?

(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 2304.46 g/mol, XLogP of 25.44, 8 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 160798891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).