2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide

C128H155Cl5F10N24O6 — CID 160999175

IUPAC2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide
SMILESC=C(c1ccc(NC(=O)N2CCN(c3ncccc3F)C[C@H]2C)cc1)C(F)(F)F.CC(C)(C)C1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2C(C)(C)C)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2C(C)(C)C)cc1.CCC1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(C)C)cc1.CCC1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H33ClN4O.C23H31ClN4O.C21H24ClF3N4O.C21H27ClN4O.C20H20F4N4O.C19H20ClF3N4O/c1-23(2,3)17-9-11-18(12-10-17)27-22(30)29-15-14-28(16-20(29)24(4,5)6)21-19(25)8-7-13-26-21;1-16(2)17-8-10-18(11-9-17)26-22(29)28-14-13-27(15-20(28)23(3,4)5)21-19(24)7-6-12-25-21;1-20(2,3)17-13-28(18-16(22)5-4-10-26-18)11-12-29(17)19(30)27-15-8-6-14(7-9-15)21(23,24)25;1-4-18-14-25(20-19(22)6-5-11-23-20)12-13-26(18)21(27)24-17-9-7-16(8-10-17)15(2)3;1-13-12-27(18-17(21)4-3-9-25-18)10-11-28(13)19(29)26-16-7-5-15(6-8-16)14(2)20(22,23)24;1-2-15-12-26(17-16(20)4-3-9-24-17)10-11-27(15)18(28)25-14-7-5-13(6-8-14)19(21,22)23/h7-13,20H,14-16H2,1-6H3,(H,27,30);6-12,16,20H,13-15H2,1-5H3,(H,26,29);4-10,17H,11-13H2,1-3H3,(H,27,30);5-11,15,18H,4,12-14H2,1-3H3,(H,24,27);3-9,13H,2,10-12H2,1H3,(H,26,29);3-9,15H,2,10-12H2,1H3,(H,25,28)/t;;;;13-;/m....1./s1
InChIKeyTVQGUTNCGJFIHY-LUDFDKOQSA-N
MW2493.05 g/mol
LogP31.37
Rot. Bonds17

About 2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide

2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide (PubChem CID 160999175) has the molecular formula C128H155Cl5F10N24O6 and a molecular weight of 2493.05 g/mol. Its IUPAC name is 2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide
PubChem CID160999175
Molecular FormulaC128H155Cl5F10N24O6
Molecular Weight2493.05 g/mol
Exact Mass2489.08
IUPAC Name2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide
SMILESC=C(c1ccc(NC(=O)N2CCN(c3ncccc3F)C[C@H]2C)cc1)C(F)(F)F.CC(C)(C)C1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2C(C)(C)C)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2C(C)(C)C)cc1.CCC1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(C)C)cc1.CCC1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H33ClN4O.C23H31ClN4O.C21H24ClF3N4O.C21H27ClN4O.C20H20F4N4O.C19H20ClF3N4O/c1-23(2,3)17-9-11-18(12-10-17)27-22(30)29-15-14-28(16-20(29)24(4,5)6)21-19(25)8-7-13-26-21;1-16(2)17-8-10-18(11-9-17)26-22(29)28-14-13-27(15-20(28)23(3,4)5)21-19(24)7-6-12-25-21;1-20(2,3)17-13-28(18-16(22)5-4-10-26-18)11-12-29(17)19(30)27-15-8-6-14(7-9-15)21(23,24)25;1-4-18-14-25(20-19(22)6-5-11-23-20)12-13-26(18)21(27)24-17-9-7-16(8-10-17)15(2)3;1-13-12-27(18-17(21)4-3-9-25-18)10-11-28(13)19(29)26-16-7-5-15(6-8-16)14(2)20(22,23)24;1-2-15-12-26(17-16(20)4-3-9-24-17)10-11-27(15)18(28)25-14-7-5-13(6-8-14)19(21,22)23/h7-13,20H,14-16H2,1-6H3,(H,27,30);6-12,16,20H,13-15H2,1-5H3,(H,26,29);4-10,17H,11-13H2,1-3H3,(H,27,30);5-11,15,18H,4,12-14H2,1-3H3,(H,24,27);3-9,13H,2,10-12H2,1H3,(H,26,29);3-9,15H,2,10-12H2,1H3,(H,25,28)/t;;;;13-;/m....1./s1
InChIKeyTVQGUTNCGJFIHY-LUDFDKOQSA-N
XLogP31.37
TPSA290.82 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms173
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002493.05
LogP ≤ 531.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide (CID 160999175) is 2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide is C=C(c1ccc(NC(=O)N2CCN(c3ncccc3F)C[C@H]2C)cc1)C(F)(F)F.CC(C)(C)C1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2C(C)(C)C)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2C(C)(C)C)cc1.CCC1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(C)C)cc1.CCC1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is TVQGUTNCGJFIHY-LUDFDKOQSA-N. The full InChI is InChI=1S/C24H33ClN4O.C23H31ClN4O.C21H24ClF3N4O.C21H27ClN4O.C20H20F4N4O.C19H20ClF3N4O/c1-23(2,3)17-9-11-18(12-10-17)27-22(30)29-15-14-28(16-20(29)24(4,5)6)21-19(25)8-7-13-26-21;1-16(2)17-8-10-18(11-9-17)26-22(29)28-14-13-27(15-20(28)23(3,4)5)21-19(24)7-6-12-25-21;1-20(2,3)17-13-28(18-16(22)5-4-10-26-18)11-12-29(17)19(30)27-15-8-6-14(7-9-15)21(23,24)25;1-4-18-14-25(20-19(22)6-5-11-23-20)12-13-26(18)21(27)24-17-9-7-16(8-10-17)15(2)3;1-13-12-27(18-17(21)4-3-9-25-18)10-11-28(13)19(29)26-16-7-5-15(6-8-16)14(2)20(22,23)24;1-2-15-12-26(17-16(20)4-3-9-24-17)10-11-27(15)18(28)25-14-7-5-13(6-8-14)19(21,22)23/h7-13,20H,14-16H2,1-6H3,(H,27,30);6-12,16,20H,13-15H2,1-5H3,(H,26,29);4-10,17H,11-13H2,1-3H3,(H,27,30);5-11,15,18H,4,12-14H2,1-3H3,(H,24,27);3-9,13H,2,10-12H2,1H3,(H,26,29);3-9,15H,2,10-12H2,1H3,(H,25,28)/t;;;;13-;/m....1./s1.
What are the key properties of 2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide?
2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 2493.05 g/mol, XLogP of 31.37, 17 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 160999175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).