2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one

C138H257N23O17 — CID 158583676

IUPAC2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(C(=O)N2CCNCC2)CC1.CC(C)(C)CC(=O)N1CCC(N(CCN2CCOCC2)C2COC2)CC1.CC(C)(C)CC(=O)N1CCC(N2CCOC[C@@H]2CO)CC1.CC(C)(C)CC(=O)N1CCN(CC2CCN(CC(=O)N3CCOCC3)CC2)CC1.CC(C)(C)CC(=O)N1CCN(CC2CCOCC2)CC1.CC(C)CC(=O)N1CCC(NCC(C)(C)C#N)CC1.CCN1CCN(C(=O)CC(C)(C)C)CC1.C[C@H]1CN(CC(=O)N(C)C)CCN1CC1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C22H40N4O3.C21H40N4O2.C20H37N3O3.C16H29N3O2.C16H30N2O3.C16H30N2O2.C15H27N3O.C12H24N2O/c1-22(2,3)16-20(27)25-10-8-24(9-11-25)17-19-4-6-23(7-5-19)18-21(28)26-12-14-29-15-13-26;1-17-14-23(16-20(27)22(5)6)11-12-25(17)15-18-7-9-24(10-8-18)19(26)13-21(2,3)4;1-20(2,3)14-19(24)22-6-4-17(5-7-22)23(18-15-26-16-18)9-8-21-10-12-25-13-11-21;1-16(2,3)12-14(20)18-8-4-13(5-9-18)15(21)19-10-6-17-7-11-19;1-16(2,3)10-15(20)17-6-4-13(5-7-17)18-8-9-21-12-14(18)11-19;1-16(2,3)12-15(19)18-8-6-17(7-9-18)13-14-4-10-20-11-5-14;1-12(2)9-14(19)18-7-5-13(6-8-18)17-11-15(3,4)10-16;1-5-13-6-8-14(9-7-13)11(15)10-12(2,3)4/h19H,4-18H2,1-3H3;17-18H,7-16H2,1-6H3;17-18H,4-16H2,1-3H3;13,17H,4-12H2,1-3H3;13-14,19H,4-12H2,1-3H3;14H,4-13H2,1-3H3;12-13,17H,5-9,11H2,1-4H3;5-10H2,1-4H3/t;17-;;;14-;;;/m.0..0.../s1
InChIKeyHTOGMHYZVCWYRH-HJHBONEPSA-N
MW2510.72 g/mol
LogP12.28
Rot. Bonds31

About 2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one

2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 158583676) has the molecular formula C138H257N23O17 and a molecular weight of 2510.72 g/mol. Its IUPAC name is 2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID158583676
Molecular FormulaC138H257N23O17
Molecular Weight2510.72 g/mol
Exact Mass2509.00
IUPAC Name2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(C(=O)N2CCNCC2)CC1.CC(C)(C)CC(=O)N1CCC(N(CCN2CCOCC2)C2COC2)CC1.CC(C)(C)CC(=O)N1CCC(N2CCOC[C@@H]2CO)CC1.CC(C)(C)CC(=O)N1CCN(CC2CCN(CC(=O)N3CCOCC3)CC2)CC1.CC(C)(C)CC(=O)N1CCN(CC2CCOCC2)CC1.CC(C)CC(=O)N1CCC(NCC(C)(C)C#N)CC1.CCN1CCN(C(=O)CC(C)(C)C)CC1.C[C@H]1CN(CC(=O)N(C)C)CCN1CC1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C22H40N4O3.C21H40N4O2.C20H37N3O3.C16H29N3O2.C16H30N2O3.C16H30N2O2.C15H27N3O.C12H24N2O/c1-22(2,3)16-20(27)25-10-8-24(9-11-25)17-19-4-6-23(7-5-19)18-21(28)26-12-14-29-15-13-26;1-17-14-23(16-20(27)22(5)6)11-12-25(17)15-18-7-9-24(10-8-18)19(26)13-21(2,3)4;1-20(2,3)14-19(24)22-6-4-17(5-7-22)23(18-15-26-16-18)9-8-21-10-12-25-13-11-21;1-16(2,3)12-14(20)18-8-4-13(5-9-18)15(21)19-10-6-17-7-11-19;1-16(2,3)10-15(20)17-6-4-13(5-7-17)18-8-9-21-12-14(18)11-19;1-16(2,3)12-15(19)18-8-6-17(7-9-18)13-14-4-10-20-11-5-14;1-12(2)9-14(19)18-7-5-13(6-8-18)17-11-15(3,4)10-16;1-5-13-6-8-14(9-7-13)11(15)10-12(2,3)4/h19H,4-18H2,1-3H3;17-18H,7-16H2,1-6H3;17-18H,4-16H2,1-3H3;13,17H,4-12H2,1-3H3;13-14,19H,4-12H2,1-3H3;14H,4-13H2,1-3H3;12-13,17H,5-9,11H2,1-4H3;5-10H2,1-4H3/t;17-;;;14-;;;/m.0..0.../s1
InChIKeyHTOGMHYZVCWYRH-HJHBONEPSA-N
XLogP12.28
TPSA366.80 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002510.72
LogP ≤ 512.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 158583676) is 2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC(C(=O)N2CCNCC2)CC1.CC(C)(C)CC(=O)N1CCC(N(CCN2CCOCC2)C2COC2)CC1.CC(C)(C)CC(=O)N1CCC(N2CCOC[C@@H]2CO)CC1.CC(C)(C)CC(=O)N1CCN(CC2CCN(CC(=O)N3CCOCC3)CC2)CC1.CC(C)(C)CC(=O)N1CCN(CC2CCOCC2)CC1.CC(C)CC(=O)N1CCC(NCC(C)(C)C#N)CC1.CCN1CCN(C(=O)CC(C)(C)C)CC1.C[C@H]1CN(CC(=O)N(C)C)CCN1CC1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is HTOGMHYZVCWYRH-HJHBONEPSA-N. The full InChI is InChI=1S/C22H40N4O3.C21H40N4O2.C20H37N3O3.C16H29N3O2.C16H30N2O3.C16H30N2O2.C15H27N3O.C12H24N2O/c1-22(2,3)16-20(27)25-10-8-24(9-11-25)17-19-4-6-23(7-5-19)18-21(28)26-12-14-29-15-13-26;1-17-14-23(16-20(27)22(5)6)11-12-25(17)15-18-7-9-24(10-8-18)19(26)13-21(2,3)4;1-20(2,3)14-19(24)22-6-4-17(5-7-22)23(18-15-26-16-18)9-8-21-10-12-25-13-11-21;1-16(2,3)12-14(20)18-8-4-13(5-9-18)15(21)19-10-6-17-7-11-19;1-16(2,3)10-15(20)17-6-4-13(5-7-17)18-8-9-21-12-14(18)11-19;1-16(2,3)12-15(19)18-8-6-17(7-9-18)13-14-4-10-20-11-5-14;1-12(2)9-14(19)18-7-5-13(6-8-18)17-11-15(3,4)10-16;1-5-13-6-8-14(9-7-13)11(15)10-12(2,3)4/h19H,4-18H2,1-3H3;17-18H,7-16H2,1-6H3;17-18H,4-16H2,1-3H3;13,17H,4-12H2,1-3H3;13-14,19H,4-12H2,1-3H3;14H,4-13H2,1-3H3;12-13,17H,5-9,11H2,1-4H3;5-10H2,1-4H3/t;17-;;;14-;;;/m.0..0.../s1.
What are the key properties of 2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 2510.72 g/mol, XLogP of 12.28, 31 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;2,2-dimethyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]propanenitrile;3,3-dimethyl-1-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]butan-1-one;1-(4-ethylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-[4-[(3S)-3-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 158583676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).