N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide

C102H154ClF6N19O21S6 — CID 162164347

IUPACN-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C21H34N4O4S.C19H31N3O3S.C16H22F3N3O4S.C16H25N3O4S.C15H22ClN3O3S.C15H20F3N3O3S/c1-15(2)30(27,28)23-19-9-11-24(12-10-19)21(26)22-18-5-7-20(8-6-18)25-13-16(3)29-17(4)14-25;1-14(2)26(24,25)21-17-10-12-22(13-11-17)18(23)20-16-8-6-15(7-9-16)19(3,4)5;1-11(2)27(24,25)21-13-7-9-22(10-8-13)15(23)20-12-3-5-14(6-4-12)26-16(17,18)19;1-12(2)24(21,22)18-14-8-10-19(11-9-14)16(20)17-13-4-6-15(23-3)7-5-13;1-11(2)23(21,22)18-14-7-9-19(10-8-14)15(20)17-13-5-3-12(16)4-6-13;1-9(2)25(23,24)20-11-3-5-21(6-4-11)15(22)19-14-12(17)7-10(16)8-13(14)18/h5-8,15-17,19,23H,9-14H2,1-4H3,(H,22,26);6-9,14,17,21H,10-13H2,1-5H3,(H,20,23);3-6,11,13,21H,7-10H2,1-2H3,(H,20,23);4-7,12,14,18H,8-11H2,1-3H3,(H,17,20);3-6,11,14,18H,7-10H2,1-2H3,(H,17,20);7-9,11,20H,3-6H2,1-2H3,(H,19,22)/t16-,17+;;;;;
InChIKeyZMXSAUQNQHCANO-ZSFFHWGOSA-N
MW2324.31 g/mol
LogP15.95
Rot. Bonds27

About N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide

N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide (PubChem CID 162164347) has the molecular formula C102H154ClF6N19O21S6 and a molecular weight of 2324.31 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
PubChem CID162164347
Molecular FormulaC102H154ClF6N19O21S6
Molecular Weight2324.31 g/mol
Exact Mass2321.95
IUPAC NameN-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C21H34N4O4S.C19H31N3O3S.C16H22F3N3O4S.C16H25N3O4S.C15H22ClN3O3S.C15H20F3N3O3S/c1-15(2)30(27,28)23-19-9-11-24(12-10-19)21(26)22-18-5-7-20(8-6-18)25-13-16(3)29-17(4)14-25;1-14(2)26(24,25)21-17-10-12-22(13-11-17)18(23)20-16-8-6-15(7-9-16)19(3,4)5;1-11(2)27(24,25)21-13-7-9-22(10-8-13)15(23)20-12-3-5-14(6-4-12)26-16(17,18)19;1-12(2)24(21,22)18-14-8-10-19(11-9-14)16(20)17-13-4-6-15(23-3)7-5-13;1-11(2)23(21,22)18-14-7-9-19(10-8-14)15(20)17-13-5-3-12(16)4-6-13;1-9(2)25(23,24)20-11-3-5-21(6-4-11)15(22)19-14-12(17)7-10(16)8-13(14)18/h5-8,15-17,19,23H,9-14H2,1-4H3,(H,22,26);6-9,14,17,21H,10-13H2,1-5H3,(H,20,23);3-6,11,13,21H,7-10H2,1-2H3,(H,20,23);4-7,12,14,18H,8-11H2,1-3H3,(H,17,20);3-6,11,14,18H,7-10H2,1-2H3,(H,17,20);7-9,11,20H,3-6H2,1-2H3,(H,19,22)/t16-,17+;;;;;
InChIKeyZMXSAUQNQHCANO-ZSFFHWGOSA-N
XLogP15.95
TPSA501.99 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002324.31
LogP ≤ 515.95
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide (CID 162164347) is N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
The InChIKey is ZMXSAUQNQHCANO-ZSFFHWGOSA-N. The full InChI is InChI=1S/C21H34N4O4S.C19H31N3O3S.C16H22F3N3O4S.C16H25N3O4S.C15H22ClN3O3S.C15H20F3N3O3S/c1-15(2)30(27,28)23-19-9-11-24(12-10-19)21(26)22-18-5-7-20(8-6-18)25-13-16(3)29-17(4)14-25;1-14(2)26(24,25)21-17-10-12-22(13-11-17)18(23)20-16-8-6-15(7-9-16)19(3,4)5;1-11(2)27(24,25)21-13-7-9-22(10-8-13)15(23)20-12-3-5-14(6-4-12)26-16(17,18)19;1-12(2)24(21,22)18-14-8-10-19(11-9-14)16(20)17-13-4-6-15(23-3)7-5-13;1-11(2)23(21,22)18-14-7-9-19(10-8-14)15(20)17-13-5-3-12(16)4-6-13;1-9(2)25(23,24)20-11-3-5-21(6-4-11)15(22)19-14-12(17)7-10(16)8-13(14)18/h5-8,15-17,19,23H,9-14H2,1-4H3,(H,22,26);6-9,14,17,21H,10-13H2,1-5H3,(H,20,23);3-6,11,13,21H,7-10H2,1-2H3,(H,20,23);4-7,12,14,18H,8-11H2,1-3H3,(H,17,20);3-6,11,14,18H,7-10H2,1-2H3,(H,17,20);7-9,11,20H,3-6H2,1-2H3,(H,19,22)/t16-,17+;;;;;.
What are the key properties of N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide has a molecular weight of 2324.31 g/mol, XLogP of 15.95, 27 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 162164347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).