4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide

C110H167F9N20O20S6 — CID 157131571

IUPAC4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1.C[C@@H]1CN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2F)C[C@H](C)O1.Cc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C23H38N4O4S.C22H35FN4O4S.C17H24F3N3O3S.C16H22F3N3O3S.2C16H24FN3O3S/c1-16-13-20(7-8-21(16)27-14-17(2)31-18(3)15-27)24-22(28)26-11-9-19(10-12-26)25-32(29,30)23(4,5)6;1-15-13-27(14-16(2)31-15)20-7-6-18(12-19(20)23)24-21(28)26-10-8-17(9-11-26)25-32(29,30)22(3,4)5;1-16(2,3)27(25,26)22-12-8-10-23(11-9-12)15(24)21-14-7-5-4-6-13(14)17(18,19)20;1-16(2,3)26(24,25)21-11-4-6-22(7-5-11)15(23)20-14-12(18)8-10(17)9-13(14)19;1-16(2,3)24(22,23)19-13-7-9-20(10-8-13)15(21)18-14-6-4-5-12(17)11-14;1-16(2,3)24(22,23)19-12-8-10-20(11-9-12)15(21)18-14-7-5-4-6-13(14)17/h7-8,13,17-19,25H,9-12,14-15H2,1-6H3,(H,24,28);6-7,12,15-17,25H,8-11,13-14H2,1-5H3,(H,24,28);4-7,12,22H,8-11H2,1-3H3,(H,21,24);8-9,11,21H,4-7H2,1-3H3,(H,20,23);4-6,11,13,19H,7-10H2,1-3H3,(H,18,21);4-7,12,19H,8-11H2,1-3H3,(H,18,21)/t17-,18+;15-,16+;;;;
InChIKeyAJDGOEHEFODOED-KMZAXFGISA-N
MW2453.05 g/mol
LogP17.79
Rot. Bonds20

About 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide (PubChem CID 157131571) has the molecular formula C110H167F9N20O20S6 and a molecular weight of 2453.05 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
PubChem CID157131571
Molecular FormulaC110H167F9N20O20S6
Molecular Weight2453.05 g/mol
Exact Mass2451.08
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1.C[C@@H]1CN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2F)C[C@H](C)O1.Cc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C23H38N4O4S.C22H35FN4O4S.C17H24F3N3O3S.C16H22F3N3O3S.2C16H24FN3O3S/c1-16-13-20(7-8-21(16)27-14-17(2)31-18(3)15-27)24-22(28)26-11-9-19(10-12-26)25-32(29,30)23(4,5)6;1-15-13-27(14-16(2)31-15)20-7-6-18(12-19(20)23)24-21(28)26-10-8-17(9-11-26)25-32(29,30)22(3,4)5;1-16(2,3)27(25,26)22-12-8-10-23(11-9-12)15(24)21-14-7-5-4-6-13(14)17(18,19)20;1-16(2,3)26(24,25)21-11-4-6-22(7-5-11)15(23)20-14-12(18)8-10(17)9-13(14)19;1-16(2,3)24(22,23)19-13-7-9-20(10-8-13)15(21)18-14-6-4-5-12(17)11-14;1-16(2,3)24(22,23)19-12-8-10-20(11-9-12)15(21)18-14-7-5-4-6-13(14)17/h7-8,13,17-19,25H,9-12,14-15H2,1-6H3,(H,24,28);6-7,12,15-17,25H,8-11,13-14H2,1-5H3,(H,24,28);4-7,12,22H,8-11H2,1-3H3,(H,21,24);8-9,11,21H,4-7H2,1-3H3,(H,20,23);4-6,11,13,19H,7-10H2,1-3H3,(H,18,21);4-7,12,19H,8-11H2,1-3H3,(H,18,21)/t17-,18+;15-,16+;;;;
InChIKeyAJDGOEHEFODOED-KMZAXFGISA-N
XLogP17.79
TPSA496.00 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002453.05
LogP ≤ 517.79
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide (CID 157131571) is 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1.C[C@@H]1CN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2F)C[C@H](C)O1.Cc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
The InChIKey is AJDGOEHEFODOED-KMZAXFGISA-N. The full InChI is InChI=1S/C23H38N4O4S.C22H35FN4O4S.C17H24F3N3O3S.C16H22F3N3O3S.2C16H24FN3O3S/c1-16-13-20(7-8-21(16)27-14-17(2)31-18(3)15-27)24-22(28)26-11-9-19(10-12-26)25-32(29,30)23(4,5)6;1-15-13-27(14-16(2)31-15)20-7-6-18(12-19(20)23)24-21(28)26-10-8-17(9-11-26)25-32(29,30)22(3,4)5;1-16(2,3)27(25,26)22-12-8-10-23(11-9-12)15(24)21-14-7-5-4-6-13(14)17(18,19)20;1-16(2,3)26(24,25)21-11-4-6-22(7-5-11)15(23)20-14-12(18)8-10(17)9-13(14)19;1-16(2,3)24(22,23)19-13-7-9-20(10-8-13)15(21)18-14-6-4-5-12(17)11-14;1-16(2,3)24(22,23)19-12-8-10-20(11-9-12)15(21)18-14-7-5-4-6-13(14)17/h7-8,13,17-19,25H,9-12,14-15H2,1-6H3,(H,24,28);6-7,12,15-17,25H,8-11,13-14H2,1-5H3,(H,24,28);4-7,12,22H,8-11H2,1-3H3,(H,21,24);8-9,11,21H,4-7H2,1-3H3,(H,20,23);4-6,11,13,19H,7-10H2,1-3H3,(H,18,21);4-7,12,19H,8-11H2,1-3H3,(H,18,21)/t17-,18+;15-,16+;;;;.
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide has a molecular weight of 2453.05 g/mol, XLogP of 17.79, 20 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 157131571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).