N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C115H132Cl8F6N24O6 — CID 161034446

IUPACN-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@@H]2C)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H22ClF3N4O.2C20H25ClN4O.C19H22Cl2N4O.C19H23ClN4O.C17H15Cl2F3N4O/c1-13(2)14-3-5-16(6-4-14)26-19(29)28-9-7-27(8-10-28)18-17(21)11-15(12-25-18)20(22,23)24;1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18;1-14(2)16-6-8-17(9-7-16)23-20(26)25-12-11-24(13-15(25)3)19-18(21)5-4-10-22-19;1-13(2)14-3-5-16(6-4-14)23-19(26)25-9-7-24(8-10-25)18-17(21)11-15(20)12-22-18;1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18;18-12-9-14(19)15(23-10-12)25-5-7-26(8-6-25)16(27)24-13-3-1-11(2-4-13)17(20,21)22/h3-6,11-13H,7-10H2,1-2H3,(H,26,29);4-10H,11-14H2,1-3H3,(H,23,26);4-10,14-15H,11-13H2,1-3H3,(H,23,26);3-6,11-13H,7-10H2,1-2H3,(H,23,26);3-9,14H,10-13H2,1-2H3,(H,22,25);1-4,9-10H,5-8H2,(H,24,27)/t;;15-;;;/m..0.../s1
InChIKeyUABJAUDOFROJKW-HPCOTXIHSA-N
MW2344.09 g/mol
LogP28.06
Rot. Bonds16

About N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 161034446) has the molecular formula C115H132Cl8F6N24O6 and a molecular weight of 2344.09 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID161034446
Molecular FormulaC115H132Cl8F6N24O6
Molecular Weight2344.09 g/mol
Exact Mass2338.82
IUPAC NameN-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@@H]2C)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H22ClF3N4O.2C20H25ClN4O.C19H22Cl2N4O.C19H23ClN4O.C17H15Cl2F3N4O/c1-13(2)14-3-5-16(6-4-14)26-19(29)28-9-7-27(8-10-28)18-17(21)11-15(12-25-18)20(22,23)24;1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18;1-14(2)16-6-8-17(9-7-16)23-20(26)25-12-11-24(13-15(25)3)19-18(21)5-4-10-22-19;1-13(2)14-3-5-16(6-4-14)23-19(26)25-9-7-24(8-10-25)18-17(21)11-15(20)12-22-18;1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18;18-12-9-14(19)15(23-10-12)25-5-7-26(8-6-25)16(27)24-13-3-1-11(2-4-13)17(20,21)22/h3-6,11-13H,7-10H2,1-2H3,(H,26,29);4-10H,11-14H2,1-3H3,(H,23,26);4-10,14-15H,11-13H2,1-3H3,(H,23,26);3-6,11-13H,7-10H2,1-2H3,(H,23,26);3-9,14H,10-13H2,1-2H3,(H,22,25);1-4,9-10H,5-8H2,(H,24,27)/t;;15-;;;/m..0.../s1
InChIKeyUABJAUDOFROJKW-HPCOTXIHSA-N
XLogP28.06
TPSA290.82 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002344.09
LogP ≤ 528.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 161034446) is N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@@H]2C)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is UABJAUDOFROJKW-HPCOTXIHSA-N. The full InChI is InChI=1S/C20H22ClF3N4O.2C20H25ClN4O.C19H22Cl2N4O.C19H23ClN4O.C17H15Cl2F3N4O/c1-13(2)14-3-5-16(6-4-14)26-19(29)28-9-7-27(8-10-28)18-17(21)11-15(12-25-18)20(22,23)24;1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18;1-14(2)16-6-8-17(9-7-16)23-20(26)25-12-11-24(13-15(25)3)19-18(21)5-4-10-22-19;1-13(2)14-3-5-16(6-4-14)23-19(26)25-9-7-24(8-10-25)18-17(21)11-15(20)12-22-18;1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18;18-12-9-14(19)15(23-10-12)25-5-7-26(8-6-25)16(27)24-13-3-1-11(2-4-13)17(20,21)22/h3-6,11-13H,7-10H2,1-2H3,(H,26,29);4-10H,11-14H2,1-3H3,(H,23,26);4-10,14-15H,11-13H2,1-3H3,(H,23,26);3-6,11-13H,7-10H2,1-2H3,(H,23,26);3-9,14H,10-13H2,1-2H3,(H,22,25);1-4,9-10H,5-8H2,(H,24,27)/t;;15-;;;/m..0.../s1.
What are the key properties of N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 2344.09 g/mol, XLogP of 28.06, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 161034446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).