N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide

C125H193F10N19O9 — CID 157177110

IUPACN-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide
SMILESCCN1CCN(CC2(NC(=O)c3cc(F)ccc3F)CCN(C(C)C)CC2)CC1.COC1CN(C(C)(C)C)CC1NC(=O)c1ccccc1.COCCN1CCN(CC2(NC(=O)c3cc(F)ccc3C)CCN(C(C)C)CC2)CC1.Cc1ccc(F)cc1C(=O)NC1(CN(C)CC(C)(C)O)CCN(C(C)C)CC1.Cc1ccc(F)cc1C(=O)NC1(CN(C)CC(F)F)CCN(C(C)C)CC1.Cc1ccc(F)cc1C(=O)NC1(CN2CCC(F)(F)C2)CCN(C(C)C)CC1
InChIInChI=1S/C24H39FN4O2.C22H34F2N4O.C22H36FN3O2.C21H30F3N3O.C20H30F3N3O.C16H24N2O2/c1-19(2)29-9-7-24(8-10-29,18-28-13-11-27(12-14-28)15-16-31-4)26-23(30)22-17-21(25)6-5-20(22)3;1-4-26-11-13-27(14-12-26)16-22(7-9-28(10-8-22)17(2)3)25-21(29)19-15-18(23)5-6-20(19)24;1-16(2)26-11-9-22(10-12-26,15-25(6)14-21(4,5)28)24-20(27)19-13-18(23)8-7-17(19)3;1-15(2)27-10-6-20(7-11-27,13-26-9-8-21(23,24)14-26)25-19(28)18-12-17(22)5-4-16(18)3;1-14(2)26-9-7-20(8-10-26,13-25(4)12-18(22)23)24-19(27)17-11-16(21)6-5-15(17)3;1-16(2,3)18-10-13(14(11-18)20-4)17-15(19)12-8-6-5-7-9-12/h5-6,17,19H,7-16,18H2,1-4H3,(H,26,30);5-6,15,17H,4,7-14,16H2,1-3H3,(H,25,29);7-8,13,16,28H,9-12,14-15H2,1-6H3,(H,24,27);4-5,12,15H,6-11,13-14H2,1-3H3,(H,25,28);5-6,11,14,18H,7-10,12-13H2,1-4H3,(H,24,27);5-9,13-14H,10-11H2,1-4H3,(H,17,19)
InChIKeyAODGKFTUOUJTMI-UHFFFAOYSA-N
MW2296.02 g/mol
LogP16.42
Rot. Bonds36

About N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide

N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide (PubChem CID 157177110) has the molecular formula C125H193F10N19O9 and a molecular weight of 2296.02 g/mol. Its IUPAC name is N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide
PubChem CID157177110
Molecular FormulaC125H193F10N19O9
Molecular Weight2296.02 g/mol
Exact Mass2294.51
IUPAC NameN-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide
SMILESCCN1CCN(CC2(NC(=O)c3cc(F)ccc3F)CCN(C(C)C)CC2)CC1.COC1CN(C(C)(C)C)CC1NC(=O)c1ccccc1.COCCN1CCN(CC2(NC(=O)c3cc(F)ccc3C)CCN(C(C)C)CC2)CC1.Cc1ccc(F)cc1C(=O)NC1(CN(C)CC(C)(C)O)CCN(C(C)C)CC1.Cc1ccc(F)cc1C(=O)NC1(CN(C)CC(F)F)CCN(C(C)C)CC1.Cc1ccc(F)cc1C(=O)NC1(CN2CCC(F)(F)C2)CCN(C(C)C)CC1
InChIInChI=1S/C24H39FN4O2.C22H34F2N4O.C22H36FN3O2.C21H30F3N3O.C20H30F3N3O.C16H24N2O2/c1-19(2)29-9-7-24(8-10-29,18-28-13-11-27(12-14-28)15-16-31-4)26-23(30)22-17-21(25)6-5-20(22)3;1-4-26-11-13-27(14-12-26)16-22(7-9-28(10-8-22)17(2)3)25-21(29)19-15-18(23)5-6-20(19)24;1-16(2)26-11-9-22(10-12-26,15-25(6)14-21(4,5)28)24-20(27)19-13-18(23)8-7-17(19)3;1-15(2)27-10-6-20(7-11-27,13-26-9-8-21(23,24)14-26)25-19(28)18-12-17(22)5-4-16(18)3;1-14(2)26-9-7-20(8-10-26,13-25(4)12-18(22)23)24-19(27)17-11-16(21)6-5-15(17)3;1-16(2,3)18-10-13(14(11-18)20-4)17-15(19)12-8-6-5-7-9-12/h5-6,17,19H,7-16,18H2,1-4H3,(H,26,30);5-6,15,17H,4,7-14,16H2,1-3H3,(H,25,29);7-8,13,16,28H,9-12,14-15H2,1-6H3,(H,24,27);4-5,12,15H,6-11,13-14H2,1-3H3,(H,25,28);5-6,11,14,18H,7-10,12-13H2,1-4H3,(H,24,27);5-9,13-14H,10-11H2,1-4H3,(H,17,19)
InChIKeyAODGKFTUOUJTMI-UHFFFAOYSA-N
XLogP16.42
TPSA255.41 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002296.02
LogP ≤ 516.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide (CID 157177110) is N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide is CCN1CCN(CC2(NC(=O)c3cc(F)ccc3F)CCN(C(C)C)CC2)CC1.COC1CN(C(C)(C)C)CC1NC(=O)c1ccccc1.COCCN1CCN(CC2(NC(=O)c3cc(F)ccc3C)CCN(C(C)C)CC2)CC1.Cc1ccc(F)cc1C(=O)NC1(CN(C)CC(C)(C)O)CCN(C(C)C)CC1.Cc1ccc(F)cc1C(=O)NC1(CN(C)CC(F)F)CCN(C(C)C)CC1.Cc1ccc(F)cc1C(=O)NC1(CN2CCC(F)(F)C2)CCN(C(C)C)CC1.
What is the InChIKey of N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide?
The InChIKey is AODGKFTUOUJTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39FN4O2.C22H34F2N4O.C22H36FN3O2.C21H30F3N3O.C20H30F3N3O.C16H24N2O2/c1-19(2)29-9-7-24(8-10-29,18-28-13-11-27(12-14-28)15-16-31-4)26-23(30)22-17-21(25)6-5-20(22)3;1-4-26-11-13-27(14-12-26)16-22(7-9-28(10-8-22)17(2)3)25-21(29)19-15-18(23)5-6-20(19)24;1-16(2)26-11-9-22(10-12-26,15-25(6)14-21(4,5)28)24-20(27)19-13-18(23)8-7-17(19)3;1-15(2)27-10-6-20(7-11-27,13-26-9-8-21(23,24)14-26)25-19(28)18-12-17(22)5-4-16(18)3;1-14(2)26-9-7-20(8-10-26,13-25(4)12-18(22)23)24-19(27)17-11-16(21)6-5-15(17)3;1-16(2,3)18-10-13(14(11-18)20-4)17-15(19)12-8-6-5-7-9-12/h5-6,17,19H,7-16,18H2,1-4H3,(H,26,30);5-6,15,17H,4,7-14,16H2,1-3H3,(H,25,29);7-8,13,16,28H,9-12,14-15H2,1-6H3,(H,24,27);4-5,12,15H,6-11,13-14H2,1-3H3,(H,25,28);5-6,11,14,18H,7-10,12-13H2,1-4H3,(H,24,27);5-9,13-14H,10-11H2,1-4H3,(H,17,19).
What are the key properties of N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide?
N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide has a molecular weight of 2296.02 g/mol, XLogP of 16.42, 36 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-methoxypyrrolidin-3-yl)benzamide;N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,5-difluorobenzamide;5-fluoro-N-[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 157177110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).