N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one

C128H192F8N12O10 — CID 159553571

IUPACN-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)cc2F)C1.CC(C)(C)N1CCC(C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)cc2F)C1.CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)C2CCN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1.CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)C2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1
InChIInChI=1S/C33H49F2N3O3.C32H47F2N3O3.C32H49F2N3O2.C31H47F2N3O2/c1-31(2,3)37-16-13-26(27(20-37)25-12-11-24(34)19-28(25)35)29(39)36-17-14-33(15-18-36,23-9-7-6-8-10-23)21-38-30(40)41-22-32(38,4)5;1-30(2,3)36-18-25(24-12-11-23(33)17-27(24)34)26(19-36)28(38)35-15-13-32(14-16-35,22-9-7-6-8-10-22)20-37-29(39)40-21-31(37,4)5;1-30(2,3)35-29(39)32(22-10-8-7-9-11-22)15-18-36(19-16-32)28(38)25-14-17-37(31(4,5)6)21-26(25)24-13-12-23(33)20-27(24)34;1-29(2,3)34-28(38)31(21-10-8-7-9-11-21)14-16-35(17-15-31)27(37)25-20-36(30(4,5)6)19-24(25)23-13-12-22(32)18-26(23)33/h11-12,19,23,26-27H,6-10,13-18,20-22H2,1-5H3;11-12,17,22,25-26H,6-10,13-16,18-21H2,1-5H3;12-13,20,22,25-26H,7-11,14-19,21H2,1-6H3,(H,35,39);12-13,18,21,24-25H,7-11,14-17,19-20H2,1-6H3,(H,34,38)/t26?,27-;25-,26?;25?,26-;24-,25?/m0000/s1
InChIKeyMFRVWAHPELPGIG-DXKBGHCQSA-N
MW2211.00 g/mol
LogP24.94
Rot. Bonds18

About N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one

N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 159553571) has the molecular formula C128H192F8N12O10 and a molecular weight of 2211.00 g/mol. Its IUPAC name is N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound NameN-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID159553571
Molecular FormulaC128H192F8N12O10
Molecular Weight2211.00 g/mol
Exact Mass2209.48
IUPAC NameN-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)cc2F)C1.CC(C)(C)N1CCC(C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)cc2F)C1.CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)C2CCN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1.CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)C2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1
InChIInChI=1S/C33H49F2N3O3.C32H47F2N3O3.C32H49F2N3O2.C31H47F2N3O2/c1-31(2,3)37-16-13-26(27(20-37)25-12-11-24(34)19-28(25)35)29(39)36-17-14-33(15-18-36,23-9-7-6-8-10-23)21-38-30(40)41-22-32(38,4)5;1-30(2,3)36-18-25(24-12-11-23(33)17-27(24)34)26(19-36)28(38)35-15-13-32(14-16-35,22-9-7-6-8-10-22)20-37-29(39)40-21-31(37,4)5;1-30(2,3)35-29(39)32(22-10-8-7-9-11-22)15-18-36(19-16-32)28(38)25-14-17-37(31(4,5)6)21-26(25)24-13-12-23(33)20-27(24)34;1-29(2,3)34-28(38)31(21-10-8-7-9-11-21)14-16-35(17-15-31)27(37)25-20-36(30(4,5)6)19-24(25)23-13-12-22(32)18-26(23)33/h11-12,19,23,26-27H,6-10,13-18,20-22H2,1-5H3;11-12,17,22,25-26H,6-10,13-16,18-21H2,1-5H3;12-13,20,22,25-26H,7-11,14-19,21H2,1-6H3,(H,35,39);12-13,18,21,24-25H,7-11,14-17,19-20H2,1-6H3,(H,34,38)/t26?,27-;25-,26?;25?,26-;24-,25?/m0000/s1
InChIKeyMFRVWAHPELPGIG-DXKBGHCQSA-N
XLogP24.94
TPSA211.48 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms158
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002211.00
LogP ≤ 524.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 159553571) is N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one is CC(C)(C)N1CC(C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)cc2F)C1.CC(C)(C)N1CCC(C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)cc2F)C1.CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)C2CCN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1.CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)C2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1.
What is the InChIKey of N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is MFRVWAHPELPGIG-DXKBGHCQSA-N. The full InChI is InChI=1S/C33H49F2N3O3.C32H47F2N3O3.C32H49F2N3O2.C31H47F2N3O2/c1-31(2,3)37-16-13-26(27(20-37)25-12-11-24(34)19-28(25)35)29(39)36-17-14-33(15-18-36,23-9-7-6-8-10-23)21-38-30(40)41-22-32(38,4)5;1-30(2,3)36-18-25(24-12-11-23(33)17-27(24)34)26(19-36)28(38)35-15-13-32(14-16-35,22-9-7-6-8-10-22)20-37-29(39)40-21-31(37,4)5;1-30(2,3)35-29(39)32(22-10-8-7-9-11-22)15-18-36(19-16-32)28(38)25-14-17-37(31(4,5)6)21-26(25)24-13-12-23(33)20-27(24)34;1-29(2,3)34-28(38)31(21-10-8-7-9-11-21)14-16-35(17-15-31)27(37)25-20-36(30(4,5)6)19-24(25)23-13-12-22(32)18-26(23)33/h11-12,19,23,26-27H,6-10,13-18,20-22H2,1-5H3;11-12,17,22,25-26H,6-10,13-16,18-21H2,1-5H3;12-13,20,22,25-26H,7-11,14-19,21H2,1-6H3,(H,35,39);12-13,18,21,24-25H,7-11,14-17,19-20H2,1-6H3,(H,34,38)/t26?,27-;25-,26?;25?,26-;24-,25?/m0000/s1.
What are the key properties of N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 2211.00 g/mol, XLogP of 24.94, 18 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 159553571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).