dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one

C96H183N14O7+7 — CID 159011704

About dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one

dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one (PubChem CID 159011704) has the molecular formula C96H183N14O7+7 and a molecular weight of 1645.61 g/mol. Its IUPAC name is dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one.

Molecular Properties

• Compound Name: dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one
• PubChem CID: 159011704
• Molecular Formula: C96H183N14O7+7
• Molecular Weight: 1645.61 g/mol
• Exact Mass: 1644.44
• IUPAC Name: dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one
• SMILES: CC(C)C(=O)N1CC2CC1C[N+]2(C)C(C)C.CC(C)C(=O)N1CC2C[N+](C)(C(C)C)CC2C1.CC(C)C(=O)N1CCC([N+](C)(C)C(C)C)CC1.CC(C)C(=O)N1CCC[NH+](C(C)C)CC1.CC(C)C(=O)N1CCCc2c1ccc[n+]2C(C)C.CC(C)C(=O)N1CC[N+]2(C(C)C)CCC1CC2.CC(C)C(=O)N1CC[N+]2(C(C)C)CCCC2C1
• InChI: InChI=1S/C15H23N2O.3C14H27N2O.C14H29N2O.C13H25N2O.C12H24N2O/c1-11(2)15(18)17-10-6-7-13-14(17)8-5-9-16(13)12(3)4;1-10(2)14(17)15-6-12-8-16(5,11(3)4)9-13(12)7-15;1-11(2)14(17)15-7-10-16(12(3)4)8-5-13(15)6-9-16;1-11(2)14(17)15-7-9-16(12(3)4)8-5-6-13(16)10-15;1-11(2)14(17)15-9-7-13(8-10-15)16(5,6)12(3)4;1-9(2)13(16)14-7-12-6-11(14)8-15(12,5)10(3)4;1-10(2)12(15)14-7-5-6-13(8-9-14)11(3)4/h5,8-9,11-12H,6-7,10H2,1-4H3;10-13H,6-9H2,1-5H3;2*11-13H,5-10H2,1-4H3;11-13H,7-10H2,1-6H3;9-12H,6-8H2,1-5H3;10-11H,5-9H2,1-4H3/q6*+1;/p+1
• InChIKey: JSONPXIHJYCFDJ-UHFFFAOYSA-O
• XLogP: 11.59
• TPSA: 150.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1645.61
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one?

The IUPAC name of dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one (CID 159011704) is dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one.

What is the SMILES notation for dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one?

The canonical SMILES for dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one is CC(C)C(=O)N1CC2CC1C[N+]2(C)C(C)C.CC(C)C(=O)N1CC2C[N+](C)(C(C)C)CC2C1.CC(C)C(=O)N1CCC([N+](C)(C)C(C)C)CC1.CC(C)C(=O)N1CCC[NH+](C(C)C)CC1.CC(C)C(=O)N1CCCc2c1ccc[n+]2C(C)C.CC(C)C(=O)N1CC[N+]2(C(C)C)CCC1CC2.CC(C)C(=O)N1CC[N+]2(C(C)C)CCCC2C1.

What is the InChIKey of dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one?

The InChIKey is JSONPXIHJYCFDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N2O.3C14H27N2O.C14H29N2O.C13H25N2O.C12H24N2O/c1-11(2)15(18)17-10-6-7-13-14(17)8-5-9-16(13)12(3)4;1-10(2)14(17)15-6-12-8-16(5,11(3)4)9-13(12)7-15;1-11(2)14(17)15-7-10-16(12(3)4)8-5-13(15)6-9-16;1-11(2)14(17)15-7-9-16(12(3)4)8-5-6-13(16)10-15;1-11(2)14(17)15-9-7-13(8-10-15)16(5,6)12(3)4;1-9(2)13(16)14-7-12-6-11(14)8-15(12,5)10(3)4;1-10(2)12(15)14-7-5-6-13(8-9-14)11(3)4/h5,8-9,11-12H,6-7,10H2,1-4H3;10-13H,6-9H2,1-5H3;2*11-13H,5-10H2,1-4H3;11-13H,7-10H2,1-6H3;9-12H,6-8H2,1-5H3;10-11H,5-9H2,1-4H3/q6*+1;/p+1.

What are the key properties of dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one?

dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one has a molecular weight of 1645.61 g/mol, XLogP of 11.59, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one is sourced from PubChem (CID 159011704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).