tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C115H168ClF7N22O10 — CID 159285482

IUPACtert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1.CC(C)(C)C(=O)N1CCN(c2ccc(F)cc2)CC1.CC(C)(C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.CC(C)(C)C(=O)N1CCN(c2cccc(Cl)c2)CC1.CC(C)(C)C(=O)N1CCN(c2cnccn2)CC1.CC(C)(C)C(=O)N1CCn2c(C3CC3)cnc2C1.CC(C)(C)C(=O)N1CCn2cc(C(F)(F)F)nc2C1.CC1CN(C(=O)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H21F3N2O.C15H21ClN2O.C15H21FN2O.C15H20N4O.C15H28N2O3.C14H21N3O.C13H20N4O.C12H16F3N3O/c1-15(2,3)14(22)21-9-7-20(8-10-21)13-6-4-5-12(11-13)16(17,18)19;1-15(2,3)14(19)18-9-7-17(8-10-18)13-6-4-5-12(16)11-13;1-15(2,3)14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13;1-15(2,3)14(20)19-8-6-18(7-9-19)13-5-4-12(10-16)11-17-13;1-11-10-16(12(18)14(2,3)4)8-9-17(11)13(19)20-15(5,6)7;1-14(2,3)13(18)16-6-7-17-11(10-4-5-10)8-15-12(17)9-16;1-13(2,3)12(18)17-8-6-16(7-9-17)11-10-14-4-5-15-11;1-11(2,3)10(19)18-5-4-17-6-8(12(13,14)15)16-9(17)7-18/h4-6,11H,7-10H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,11H,6-9H2,1-3H3;11H,8-10H2,1-7H3;8,10H,4-7,9H2,1-3H3;4-5,10H,6-9H2,1-3H3;6H,4-5,7H2,1-3H3
InChIKeyKZLMNYPZZOLHNE-UHFFFAOYSA-N
MW2187.19 g/mol
LogP18.71
Rot. Bonds6

About tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 159285482) has the molecular formula C115H168ClF7N22O10 and a molecular weight of 2187.19 g/mol. Its IUPAC name is tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Nametert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID159285482
Molecular FormulaC115H168ClF7N22O10
Molecular Weight2187.19 g/mol
Exact Mass2185.29
IUPAC Nametert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1.CC(C)(C)C(=O)N1CCN(c2ccc(F)cc2)CC1.CC(C)(C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.CC(C)(C)C(=O)N1CCN(c2cccc(Cl)c2)CC1.CC(C)(C)C(=O)N1CCN(c2cnccn2)CC1.CC(C)(C)C(=O)N1CCn2c(C3CC3)cnc2C1.CC(C)(C)C(=O)N1CCn2cc(C(F)(F)F)nc2C1.CC1CN(C(=O)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H21F3N2O.C15H21ClN2O.C15H21FN2O.C15H20N4O.C15H28N2O3.C14H21N3O.C13H20N4O.C12H16F3N3O/c1-15(2,3)14(22)21-9-7-20(8-10-21)13-6-4-5-12(11-13)16(17,18)19;1-15(2,3)14(19)18-9-7-17(8-10-18)13-6-4-5-12(16)11-13;1-15(2,3)14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13;1-15(2,3)14(20)19-8-6-18(7-9-19)13-5-4-12(10-16)11-17-13;1-11-10-16(12(18)14(2,3)4)8-9-17(11)13(19)20-15(5,6)7;1-14(2,3)13(18)16-6-7-17-11(10-4-5-10)8-15-12(17)9-16;1-13(2,3)12(18)17-8-6-16(7-9-17)11-10-14-4-5-15-11;1-11(2,3)10(19)18-5-4-17-6-8(12(13,14)15)16-9(17)7-18/h4-6,11H,7-10H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,11H,6-9H2,1-3H3;11H,8-10H2,1-7H3;8,10H,4-7,9H2,1-3H3;4-5,10H,6-9H2,1-3H3;6H,4-5,7H2,1-3H3
InChIKeyKZLMNYPZZOLHNE-UHFFFAOYSA-N
XLogP18.71
TPSA306.32 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds6
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002187.19
LogP ≤ 518.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 159285482) is tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1.CC(C)(C)C(=O)N1CCN(c2ccc(F)cc2)CC1.CC(C)(C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.CC(C)(C)C(=O)N1CCN(c2cccc(Cl)c2)CC1.CC(C)(C)C(=O)N1CCN(c2cnccn2)CC1.CC(C)(C)C(=O)N1CCn2c(C3CC3)cnc2C1.CC(C)(C)C(=O)N1CCn2cc(C(F)(F)F)nc2C1.CC1CN(C(=O)C(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KZLMNYPZZOLHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O.C15H21ClN2O.C15H21FN2O.C15H20N4O.C15H28N2O3.C14H21N3O.C13H20N4O.C12H16F3N3O/c1-15(2,3)14(22)21-9-7-20(8-10-21)13-6-4-5-12(11-13)16(17,18)19;1-15(2,3)14(19)18-9-7-17(8-10-18)13-6-4-5-12(16)11-13;1-15(2,3)14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13;1-15(2,3)14(20)19-8-6-18(7-9-19)13-5-4-12(10-16)11-17-13;1-11-10-16(12(18)14(2,3)4)8-9-17(11)13(19)20-15(5,6)7;1-14(2,3)13(18)16-6-7-17-11(10-4-5-10)8-15-12(17)9-16;1-13(2,3)12(18)17-8-6-16(7-9-17)11-10-14-4-5-15-11;1-11(2,3)10(19)18-5-4-17-6-8(12(13,14)15)16-9(17)7-18/h4-6,11H,7-10H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,11H,6-9H2,1-3H3;11H,8-10H2,1-7H3;8,10H,4-7,9H2,1-3H3;4-5,10H,6-9H2,1-3H3;6H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 2187.19 g/mol, XLogP of 18.71, 6 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 159285482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).