1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one

C60H117N9O7 — CID 160648734

About 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one

1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one (PubChem CID 160648734) has the molecular formula C60H117N9O7 and a molecular weight of 1076.65 g/mol. Its IUPAC name is 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one.

Molecular Properties

• Compound Name: 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one
• PubChem CID: 160648734
• Molecular Formula: C60H117N9O7
• Molecular Weight: 1076.65 g/mol
• Exact Mass: 1075.91
• IUPAC Name: 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one
• SMILES: CC(C)(C)C(=O)C1CCCN1.CC(C)(C)C(=O)N1CCC(N2CCCCC2)CC1.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)C(=O)N1CCOCC1.CN(C)CC(=O)C(C)(C)C.CN1CCN(C(=O)C(C)(C)C)CC1
• InChI: InChI=1S/C15H28N2O.C10H20N2O.C9H18N2O.C9H17NO2.C9H17NO.C8H17NO/c1-15(2,3)14(18)17-11-7-13(8-12-17)16-9-5-4-6-10-16;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)7-5-4-6-10-7;1-8(2,3)7(10)6-9(4)5/h13H,4-12H2,1-3H3;5-8H2,1-4H3;10H,4-7H2,1-3H3;4-7H2,1-3H3;7,10H,4-6H2,1-3H3;6H2,1-5H3
• InChIKey: RKDDJKOKLCRZPM-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 158.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1076.65
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one?

The IUPAC name of 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one (CID 160648734) is 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one.

What is the SMILES notation for 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one?

The canonical SMILES for 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one is CC(C)(C)C(=O)C1CCCN1.CC(C)(C)C(=O)N1CCC(N2CCCCC2)CC1.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)C(=O)N1CCOCC1.CN(C)CC(=O)C(C)(C)C.CN1CCN(C(=O)C(C)(C)C)CC1.

What is the InChIKey of 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one?

The InChIKey is RKDDJKOKLCRZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.C10H20N2O.C9H18N2O.C9H17NO2.C9H17NO.C8H17NO/c1-15(2,3)14(18)17-11-7-13(8-12-17)16-9-5-4-6-10-16;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)7-5-4-6-10-7;1-8(2,3)7(10)6-9(4)5/h13H,4-12H2,1-3H3;5-8H2,1-4H3;10H,4-7H2,1-3H3;4-7H2,1-3H3;7,10H,4-6H2,1-3H3;6H2,1-5H3.

What are the key properties of 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one?

1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one has a molecular weight of 1076.65 g/mol, XLogP of 7.19, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one is sourced from PubChem (CID 160648734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).