2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

C111H217N17O15 — CID 157270899

IUPAC2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(C)(N2CCOCC2)CC1.CC(C)(C)CC(=O)N1CCN(CC2(C)COC2)CC1.CC(C)(C)CC(=O)N1CCN(CCCO)CC1.CC(C)(C)CC(=O)N1CCN(CCOCCO)CC1.CC(C)(C)C[C@H]1CCCN1.CC(C)CC(=O)N1CCN(CCO)CC1.CN(C)C(=O)CN1CCN(CC2CCN(C(=O)CC(C)(C)C)CC2)CC1.COCCN1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C20H38N4O2.C16H30N2O2.C15H28N2O2.C14H28N2O3.2C13H26N2O2.C11H22N2O2.C9H19N/c1-20(2,3)14-18(25)24-8-6-17(7-9-24)15-22-10-12-23(13-11-22)16-19(26)21(4)5;1-15(2,3)13-14(19)17-7-5-16(4,6-8-17)18-9-11-20-12-10-18;1-14(2,3)9-13(18)17-7-5-16(6-8-17)10-15(4)11-19-12-15;1-14(2,3)12-13(18)16-6-4-15(5-7-16)8-10-19-11-9-17;1-13(2,3)11-12(16)15-7-5-14(6-8-15)9-10-17-4;1-13(2,3)11-12(17)15-8-6-14(7-9-15)5-4-10-16;1-10(2)9-11(15)13-5-3-12(4-6-13)7-8-14;1-9(2,3)7-8-5-4-6-10-8/h17H,6-16H2,1-5H3;5-13H2,1-4H3;5-12H2,1-4H3;17H,4-12H2,1-3H3;5-11H2,1-4H3;16H,4-11H2,1-3H3;10,14H,3-9H2,1-2H3;8,10H,4-7H2,1-3H3/t;;;;;;;8-/m.......1/s1
InChIKeyAYNHLPQPBWAYPW-DJHDECJTSA-N
MW2030.06 g/mol
LogP10.19
Rot. Bonds29

About 2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 157270899) has the molecular formula C111H217N17O15 and a molecular weight of 2030.06 g/mol. Its IUPAC name is 2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID157270899
Molecular FormulaC111H217N17O15
Molecular Weight2030.06 g/mol
Exact Mass2028.67
IUPAC Name2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(C)(N2CCOCC2)CC1.CC(C)(C)CC(=O)N1CCN(CC2(C)COC2)CC1.CC(C)(C)CC(=O)N1CCN(CCCO)CC1.CC(C)(C)CC(=O)N1CCN(CCOCCO)CC1.CC(C)(C)C[C@H]1CCCN1.CC(C)CC(=O)N1CCN(CCO)CC1.CN(C)C(=O)CN1CCN(CC2CCN(C(=O)CC(C)(C)C)CC2)CC1.COCCN1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C20H38N4O2.C16H30N2O2.C15H28N2O2.C14H28N2O3.2C13H26N2O2.C11H22N2O2.C9H19N/c1-20(2,3)14-18(25)24-8-6-17(7-9-24)15-22-10-12-23(13-11-22)16-19(26)21(4)5;1-15(2,3)13-14(19)17-7-5-16(4,6-8-17)18-9-11-20-12-10-18;1-14(2,3)9-13(18)17-7-5-16(6-8-17)10-15(4)11-19-12-15;1-14(2,3)12-13(18)16-6-4-15(5-7-16)8-10-19-11-9-17;1-13(2,3)11-12(16)15-7-5-14(6-8-15)9-10-17-4;1-13(2,3)11-12(17)15-8-6-14(7-9-15)5-4-10-16;1-10(2)9-11(15)13-5-3-12(4-6-13)7-8-14;1-9(2,3)7-8-5-4-6-10-8/h17H,6-16H2,1-5H3;5-13H2,1-4H3;5-12H2,1-4H3;17H,4-12H2,1-3H3;5-11H2,1-4H3;16H,4-11H2,1-3H3;10,14H,3-9H2,1-2H3;8,10H,4-7H2,1-3H3/t;;;;;;;8-/m.......1/s1
InChIKeyAYNHLPQPBWAYPW-DJHDECJTSA-N
XLogP10.19
TPSA298.04 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002030.06
LogP ≤ 510.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 157270899) is 2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC(C)(N2CCOCC2)CC1.CC(C)(C)CC(=O)N1CCN(CC2(C)COC2)CC1.CC(C)(C)CC(=O)N1CCN(CCCO)CC1.CC(C)(C)CC(=O)N1CCN(CCOCCO)CC1.CC(C)(C)C[C@H]1CCCN1.CC(C)CC(=O)N1CCN(CCO)CC1.CN(C)C(=O)CN1CCN(CC2CCN(C(=O)CC(C)(C)C)CC2)CC1.COCCN1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is AYNHLPQPBWAYPW-DJHDECJTSA-N. The full InChI is InChI=1S/C20H38N4O2.C16H30N2O2.C15H28N2O2.C14H28N2O3.2C13H26N2O2.C11H22N2O2.C9H19N/c1-20(2,3)14-18(25)24-8-6-17(7-9-24)15-22-10-12-23(13-11-22)16-19(26)21(4)5;1-15(2,3)13-14(19)17-7-5-16(4,6-8-17)18-9-11-20-12-10-18;1-14(2,3)9-13(18)17-7-5-16(6-8-17)10-15(4)11-19-12-15;1-14(2,3)12-13(18)16-6-4-15(5-7-16)8-10-19-11-9-17;1-13(2,3)11-12(16)15-7-5-14(6-8-15)9-10-17-4;1-13(2,3)11-12(17)15-8-6-14(7-9-15)5-4-10-16;1-10(2)9-11(15)13-5-3-12(4-6-13)7-8-14;1-9(2,3)7-8-5-4-6-10-8/h17H,6-16H2,1-5H3;5-13H2,1-4H3;5-12H2,1-4H3;17H,4-12H2,1-3H3;5-11H2,1-4H3;16H,4-11H2,1-3H3;10,14H,3-9H2,1-2H3;8,10H,4-7H2,1-3H3/t;;;;;;;8-/m.......1/s1.
What are the key properties of 2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 2030.06 g/mol, XLogP of 10.19, 29 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)butan-1-one;3,3-dimethyl-1-[4-[(3-methyloxetan-3-yl)methyl]piperazin-1-yl]butan-1-one;(2R)-2-(2,2-dimethylpropyl)pyrrolidine;1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 157270899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).