1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one

C141H267N17O16 — CID 159857370

About 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one

1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 159857370) has the molecular formula C141H267N17O16 and a molecular weight of 2456.79 g/mol. Its IUPAC name is 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one
• PubChem CID: 159857370
• Molecular Formula: C141H267N17O16
• Molecular Weight: 2456.79 g/mol
• Exact Mass: 2455.06
• IUPAC Name: 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one
• SMILES: CC(C)(C)C(=O)N1CC2(CCC2)C1.CC(C)(C)C(=O)N1CC2(CCOCC2)C1.CC(C)(C)C(=O)N1CCC1.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCN(CC2CC2)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CC1(C)CN(C(=O)C(C)(C)C)CC(C)(C)O1.CC1CCCC(C)N1C(=O)C(C)(C)C.CCN1CCN(C(=O)C(C)(C)C)CC1.CN1CCN(C(=O)C(C)(C)C)CC1.COC1CCN(C(=O)C(C)(C)C)C1
• InChI: InChI=1S/C13H24N2O.C13H25NO2.C12H24N2O.C12H21NO2.C12H23NO.C11H22N2O.C11H19NO.C10H20N2O.C10H19NO2.2C10H19NO.C9H17NO.C8H15NO/c1-13(2,3)12(16)15-8-6-14(7-9-15)10-11-4-5-11;1-11(2,3)10(15)14-8-12(4,5)16-13(6,7)9-14;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5;1-11(2,3)10(14)13-8-12(9-13)4-6-15-7-5-12;1-9-7-6-8-10(2)13(9)11(14)12(3,4)5;1-5-12-6-8-13(9-7-12)10(14)11(2,3)4;1-10(2,3)9(13)12-7-11(8-12)5-4-6-11;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-10(2,3)9(12)11-6-5-8(7-11)13-4;2*1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)8(11)10-6-4-5-7-10;1-8(2,3)7(10)9-5-4-6-9/h11H,4-10H2,1-3H3;8-9H2,1-7H3;10H,6-9H2,1-5H3;4-9H2,1-3H3;9-10H,6-8H2,1-5H3;5-9H2,1-4H3;4-8H2,1-3H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3
• InChIKey: NQRUBQBXHDWETA-UHFFFAOYSA-N
• XLogP: 22.45
• TPSA: 304.68 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 5
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.79
LogP ≤ 5	22.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one?

The IUPAC name of 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one (CID 159857370) is 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC2(CCC2)C1.CC(C)(C)C(=O)N1CC2(CCOCC2)C1.CC(C)(C)C(=O)N1CCC1.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCN(CC2CC2)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CC1(C)CN(C(=O)C(C)(C)C)CC(C)(C)O1.CC1CCCC(C)N1C(=O)C(C)(C)C.CCN1CCN(C(=O)C(C)(C)C)CC1.CN1CCN(C(=O)C(C)(C)C)CC1.COC1CCN(C(=O)C(C)(C)C)C1.

What is the InChIKey of 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one?

The InChIKey is NQRUBQBXHDWETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C13H25NO2.C12H24N2O.C12H21NO2.C12H23NO.C11H22N2O.C11H19NO.C10H20N2O.C10H19NO2.2C10H19NO.C9H17NO.C8H15NO/c1-13(2,3)12(16)15-8-6-14(7-9-15)10-11-4-5-11;1-11(2,3)10(15)14-8-12(4,5)16-13(6,7)9-14;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5;1-11(2,3)10(14)13-8-12(9-13)4-6-15-7-5-12;1-9-7-6-8-10(2)13(9)11(14)12(3,4)5;1-5-12-6-8-13(9-7-12)10(14)11(2,3)4;1-10(2,3)9(13)12-7-11(8-12)5-4-6-11;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-10(2,3)9(12)11-6-5-8(7-11)13-4;2*1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)8(11)10-6-4-5-7-10;1-8(2,3)7(10)9-5-4-6-9/h11H,4-10H2,1-3H3;8-9H2,1-7H3;10H,6-9H2,1-5H3;4-9H2,1-3H3;9-10H,6-8H2,1-5H3;5-9H2,1-4H3;4-8H2,1-3H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3.

What are the key properties of 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one?

1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 2456.79 g/mol, XLogP of 22.45, 5 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one;1-(azetidin-1-yl)-2,2-dimethylpropan-1-one;1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;1-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 159857370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).