3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one

C136H262N20O20 — CID 158423674

IUPAC3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(C)(N2CCOCC2)CC1.CC(C)(C)CC(=O)N1CCC(N2CCOC[C@H]2CO)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)CC(=O)O.CC(C)(C)C[C@H]1CCCN1.CC(C)CC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1.CC(C)CC(=O)N1CCN(CCO)CC1.CN(C)C(=O)CN1CCN(CC2CCN(C(=O)CC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H38N4O2.C16H29N3O2.C16H30N2O3.C16H30N2O2.C15H28N2O2.C14H28N2O3.C13H26N2O2.C11H22N2O2.C9H19N.C6H12O2/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;1-13(2)12-15(20)18-6-4-14(5-7-18)16(21)19-10-8-17(3)9-11-19;1-16(2,3)10-15(20)17-6-4-13(5-7-17)18-8-9-21-12-14(18)11-19;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(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;1-6(2,3)4-5(7)8/h17H,6-16H2,1-5H3;13-14H,4-12H2,1-3H3;13-14,19H,4-12H2,1-3H3;5-13H2,1-4H3;5-12H2,1-4H3;17H,4-12H2,1-3H3;16H,4-11H2,1-3H3;10,14H,3-9H2,1-2H3;8,10H,4-7H2,1-3H3;4H2,1-3H3,(H,7,8)/t;;14-;;;;;;8-;/m..1.....1./s1
InChIKeyHAUFPSZXRFLAJJ-FKTJANRUSA-N
MW2497.71 g/mol
LogP12.63
Rot. Bonds32

About 3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one

3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 158423674) has the molecular formula C136H262N20O20 and a molecular weight of 2497.71 g/mol. Its IUPAC name is 3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID158423674
Molecular FormulaC136H262N20O20
Molecular Weight2497.71 g/mol
Exact Mass2496.01
IUPAC Name3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(C)(N2CCOCC2)CC1.CC(C)(C)CC(=O)N1CCC(N2CCOC[C@H]2CO)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)CC(=O)O.CC(C)(C)C[C@H]1CCCN1.CC(C)CC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1.CC(C)CC(=O)N1CCN(CCO)CC1.CN(C)C(=O)CN1CCN(CC2CCN(C(=O)CC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H38N4O2.C16H29N3O2.C16H30N2O3.C16H30N2O2.C15H28N2O2.C14H28N2O3.C13H26N2O2.C11H22N2O2.C9H19N.C6H12O2/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;1-13(2)12-15(20)18-6-4-14(5-7-18)16(21)19-10-8-17(3)9-11-19;1-16(2,3)10-15(20)17-6-4-13(5-7-17)18-8-9-21-12-14(18)11-19;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(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;1-6(2,3)4-5(7)8/h17H,6-16H2,1-5H3;13-14H,4-12H2,1-3H3;13-14,19H,4-12H2,1-3H3;5-13H2,1-4H3;5-12H2,1-4H3;17H,4-12H2,1-3H3;16H,4-11H2,1-3H3;10,14H,3-9H2,1-2H3;8,10H,4-7H2,1-3H3;4H2,1-3H3,(H,7,8)/t;;14-;;;;;;8-;/m..1.....1./s1
InChIKeyHAUFPSZXRFLAJJ-FKTJANRUSA-N
XLogP12.63
TPSA399.43 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002497.71
LogP ≤ 512.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one (CID 158423674) is 3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one is CC(C)(C)CC(=O)N1CCC(C)(N2CCOCC2)CC1.CC(C)(C)CC(=O)N1CCC(N2CCOC[C@H]2CO)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)CC(=O)O.CC(C)(C)C[C@H]1CCCN1.CC(C)CC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1.CC(C)CC(=O)N1CCN(CCO)CC1.CN(C)C(=O)CN1CCN(CC2CCN(C(=O)CC(C)(C)C)CC2)CC1.
What is the InChIKey of 3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is HAUFPSZXRFLAJJ-FKTJANRUSA-N. The full InChI is InChI=1S/C20H38N4O2.C16H29N3O2.C16H30N2O3.C16H30N2O2.C15H28N2O2.C14H28N2O3.C13H26N2O2.C11H22N2O2.C9H19N.C6H12O2/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;1-13(2)12-15(20)18-6-4-14(5-7-18)16(21)19-10-8-17(3)9-11-19;1-16(2,3)10-15(20)17-6-4-13(5-7-17)18-8-9-21-12-14(18)11-19;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(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;1-6(2,3)4-5(7)8/h17H,6-16H2,1-5H3;13-14H,4-12H2,1-3H3;13-14,19H,4-12H2,1-3H3;5-13H2,1-4H3;5-12H2,1-4H3;17H,4-12H2,1-3H3;16H,4-11H2,1-3H3;10,14H,3-9H2,1-2H3;8,10H,4-7H2,1-3H3;4H2,1-3H3,(H,7,8)/t;;14-;;;;;;8-;/m..1.....1./s1.
What are the key properties of 3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one?
3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 2497.71 g/mol, XLogP of 12.63, 32 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutanoic acid;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-[(3R)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-(3-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;3-methyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 158423674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).