1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]

C95H170N12O4 — CID 160925895

About 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]

1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine] (PubChem CID 160925895) has the molecular formula C95H170N12O4 and a molecular weight of 1544.48 g/mol. Its IUPAC name is 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine].

Molecular Properties

• Compound Name: 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
• PubChem CID: 160925895
• Molecular Formula: C95H170N12O4
• Molecular Weight: 1544.48 g/mol
• Exact Mass: 1543.35
• IUPAC Name: 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
• SMILES: CC(C)(C)N1CCC2(CC1)OCc1ccncc12.CC(C)(C)N1CCC2(CCC(C(=O)CN3CCCC3)CC2)C1.CC(C)(C)N1CCC2(CCC(C(=O)N3CCCC3)CC2)CC1.CC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1.CN1CCN(C(=O)C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1
• InChI: InChI=1S/C22H43N3.C20H37N3O.2C19H34N2O.C15H22N2O/c1-20(2,3)24-13-11-22(12-14-24)9-7-19(8-10-22)23-15-17-25(18-16-23)21(4,5)6;1-19(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;1-18(2,3)21-14-10-19(11-15-21)8-6-16(7-9-19)17(22)20-12-4-5-13-20;1-18(2,3)21-13-10-19(15-21)8-6-16(7-9-19)17(22)14-20-11-4-5-12-20;1-14(2,3)17-8-5-15(6-9-17)13-10-16-7-4-12(13)11-18-15/h19H,7-18H2,1-6H3;17H,5-16H2,1-4H3;2*16H,4-15H2,1-3H3;4,7,10H,5-6,8-9,11H2,1-3H3
• InChIKey: SSQCNGLIYKEMEB-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 108.97 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1544.48
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]?

The IUPAC name of 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine] (CID 160925895) is 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine].

What is the SMILES notation for 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]?

The canonical SMILES for 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine] is CC(C)(C)N1CCC2(CC1)OCc1ccncc12.CC(C)(C)N1CCC2(CCC(C(=O)CN3CCCC3)CC2)C1.CC(C)(C)N1CCC2(CCC(C(=O)N3CCCC3)CC2)CC1.CC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1.CN1CCN(C(=O)C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1.

What is the InChIKey of 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]?

The InChIKey is SSQCNGLIYKEMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3.C20H37N3O.2C19H34N2O.C15H22N2O/c1-20(2,3)24-13-11-22(12-14-24)9-7-19(8-10-22)23-15-17-25(18-16-23)21(4,5)6;1-19(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;1-18(2,3)21-14-10-19(11-15-21)8-6-16(7-9-19)17(22)20-12-4-5-13-20;1-18(2,3)21-13-10-19(15-21)8-6-16(7-9-19)17(22)14-20-11-4-5-12-20;1-14(2,3)17-8-5-15(6-9-17)13-10-16-7-4-12(13)11-18-15/h19H,7-18H2,1-6H3;17H,5-16H2,1-4H3;2*16H,4-15H2,1-3H3;4,7,10H,5-6,8-9,11H2,1-3H3.

What are the key properties of 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]?

1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine] has a molecular weight of 1544.48 g/mol, XLogP of 16.77, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine] is sourced from PubChem (CID 160925895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).