tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride

C80H114ClN15O14W2 — CID 159951150

About tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride

tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride (PubChem CID 159951150) has the molecular formula C80H114ClN15O14W2 and a molecular weight of 1913.02 g/mol. Its IUPAC name is tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride
• PubChem CID: 159951150
• Molecular Formula: C80H114ClN15O14W2
• Molecular Weight: 1913.02 g/mol
• Exact Mass: 1911.74
• IUPAC Name: tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride
• SMILES: C.CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1.Cl.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C=O)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC4(CCNCC4)CC3)c21.[W].[W]
• InChI: InChI=1S/C28H39N5O5.C23H31N5O3.C14H13N3O4.C14H26N2O2.CH4.ClH.2W/c1-27(2,3)38-26(37)32-16-12-28(13-17-32)10-14-31(15-11-28)18-19-6-5-7-20-23(19)30(4)25(36)33(20)21-8-9-22(34)29-24(21)35;1-26-20-16(15-27-13-9-23(10-14-27)7-11-24-12-8-23)3-2-4-17(20)28(22(26)31)18-5-6-19(29)25-21(18)30;1-16-12-8(7-18)3-2-4-9(12)17(14(16)21)10-5-6-11(19)15-13(10)20;1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14;;;;/h5-7,21H,8-18H2,1-4H3,(H,29,34,35);2-4,18,24H,5-15H2,1H3,(H,25,29,30);2-4,7,10H,5-6H2,1H3,(H,15,19,20);15H,4-11H2,1-3H3;1H4;1H
• InChIKey: SZVCWCXSWOJFRP-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 325.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1913.02
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride?

The IUPAC name of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride (CID 159951150) is tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride.

What is the SMILES notation for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride?

The canonical SMILES for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride is C.CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1.Cl.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C=O)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC4(CCNCC4)CC3)c21.[W].[W].

What is the InChIKey of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride?

The InChIKey is SZVCWCXSWOJFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O5.C23H31N5O3.C14H13N3O4.C14H26N2O2.CH4.ClH.2W/c1-27(2,3)38-26(37)32-16-12-28(13-17-32)10-14-31(15-11-28)18-19-6-5-7-20-23(19)30(4)25(36)33(20)21-8-9-22(34)29-24(21)35;1-26-20-16(15-27-13-9-23(10-14-27)7-11-24-12-8-23)3-2-4-17(20)28(22(26)31)18-5-6-19(29)25-21(18)30;1-16-12-8(7-18)3-2-4-9(12)17(14(16)21)10-5-6-11(19)15-13(10)20;1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14;;;;/h5-7,21H,8-18H2,1-4H3,(H,29,34,35);2-4,18,24H,5-15H2,1H3,(H,25,29,30);2-4,7,10H,5-6H2,1H3,(H,15,19,20);15H,4-11H2,1-3H3;1H4;1H;;.

What are the key properties of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride?

tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride has a molecular weight of 1913.02 g/mol, XLogP of 7.78, 8 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride is sourced from PubChem (CID 159951150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).