1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one

C50H106N6O6 — CID 158381115

About 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one

1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 158381115) has the molecular formula C50H106N6O6 and a molecular weight of 887.43 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
• PubChem CID: 158381115
• Molecular Formula: C50H106N6O6
• Molecular Weight: 887.43 g/mol
• Exact Mass: 886.82
• IUPAC Name: 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
• SMILES: C.C.C.C.C.CC(C)(C)C(=O)N1CCC1.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)C(=O)N1CCN(C)CC1
• InChI: InChI=1S/C10H19NO.C9H18N2O.C9H17NO2.C9H17NO.C8H15NO.5CH4/c1-10(2,3)9(12)11-7-5-4-6-8-11;1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10;1-8(2,3)7(10)9-5-4-6-9;;;;;/h4-8H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;5*1H4
• InChIKey: GVULCQLSJPWCTH-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 114.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.43
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?

The IUPAC name of 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one (CID 158381115) is 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one.

What is the SMILES notation for 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?

The canonical SMILES for 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one is C.C.C.C.C.CC(C)(C)C(=O)N1CCC1.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)C(=O)N1CCN(C)CC1.

What is the InChIKey of 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?

The InChIKey is GVULCQLSJPWCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H18N2O.C9H17NO2.C9H17NO.C8H15NO.5CH4/c1-10(2,3)9(12)11-7-5-4-6-8-11;1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10;1-8(2,3)7(10)9-5-4-6-9;;;;;/h4-8H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;5*1H4.

What are the key properties of 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?

1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 887.43 g/mol, XLogP of 9.45, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 158381115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).