(3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide

C144H190F3N31O11 — CID 159484662

About (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide

(3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide (PubChem CID 159484662) has the molecular formula C144H190F3N31O11 and a molecular weight of 2588.30 g/mol. Its IUPAC name is (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide.

Molecular Properties

• Compound Name: (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide
• PubChem CID: 159484662
• Molecular Formula: C144H190F3N31O11
• Molecular Weight: 2588.30 g/mol
• Exact Mass: 2586.52
• IUPAC Name: (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide
• SMILES: CCc1ccc2nc(N3CCC(N[C@H](C)C(C)C)CC3)c(-c3nc(C)no3)cc2c1.CO[C@@H]1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CC[C@@H]1NC1CCOCC1.CO[C@H]1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CC[C@H]1NC1CCC(F)(F)CC1.CO[C@H]1CN(c2nc3ccc(C)cc3nc2-c2nc(C)no2)CC[C@H]1NC1CCCCC1.CO[C@H]1CN(c2nc3cccc(F)c3cc2-c2nc(C)no2)CC[C@H]1NC1CCCCC1.[H]/N=C(\NC(C)=O)c1cc2cc(C)ccc2nc1N1CCC(N[C@H](C)C(C)C)CC1
• InChI: InChI=1S/C25H31F2N5O2.C24H30FN5O2.C24H32N6O2.C24H31N5O3.C24H33N5O.C23H33N5O/c1-15-4-5-20-17(12-15)13-19(24-28-16(2)31-34-24)23(30-20)32-11-8-21(22(14-32)33-3)29-18-6-9-25(26,27)10-7-18;1-15-26-24(32-29-15)18-13-17-19(25)9-6-10-20(17)28-23(18)30-12-11-21(22(14-30)31-2)27-16-7-4-3-5-8-16;1-15-9-10-18-20(13-15)27-22(24-25-16(2)29-32-24)23(28-18)30-12-11-19(21(14-30)31-3)26-17-7-5-4-6-8-17;1-15-4-5-20-17(12-15)13-19(24-25-16(2)28-32-24)23(27-20)29-9-6-21(22(14-29)30-3)26-18-7-10-31-11-8-18;1-6-18-7-8-22-19(13-18)14-21(24-26-17(5)28-30-24)23(27-22)29-11-9-20(10-12-29)25-16(4)15(2)3;1-14(2)16(4)25-19-8-10-28(11-9-19)23-20(22(24)26-17(5)29)13-18-12-15(3)6-7-21(18)27-23/h4-5,12-13,18,21-22,29H,6-11,14H2,1-3H3;6,9-10,13,16,21-22,27H,3-5,7-8,11-12,14H2,1-2H3;9-10,13,17,19,21,26H,4-8,11-12,14H2,1-3H3;4-5,12-13,18,21-22,26H,6-11,14H2,1-3H3;7-8,13-16,20,25H,6,9-12H2,1-5H3;6-7,12-14,16,19,25H,8-11H2,1-5H3,(H2,24,26,29)/t2*21-,22+;19-,21+;21-,22+;2*16-/m111011/s1
• InChIKey: LXKWGWNWAQBARB-IOUFMXCOSA-N
• XLogP: 24.35
• TPSA: 475.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 31
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2588.30
LogP ≤ 5	24.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide?

The IUPAC name of (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide (CID 159484662) is (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide.

What is the SMILES notation for (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide?

The canonical SMILES for (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide is CCc1ccc2nc(N3CCC(N[C@H](C)C(C)C)CC3)c(-c3nc(C)no3)cc2c1.CO[C@@H]1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CC[C@@H]1NC1CCOCC1.CO[C@H]1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CC[C@H]1NC1CCC(F)(F)CC1.CO[C@H]1CN(c2nc3ccc(C)cc3nc2-c2nc(C)no2)CC[C@H]1NC1CCCCC1.CO[C@H]1CN(c2nc3cccc(F)c3cc2-c2nc(C)no2)CC[C@H]1NC1CCCCC1.[H]/N=C(\NC(C)=O)c1cc2cc(C)ccc2nc1N1CCC(N[C@H](C)C(C)C)CC1.

What is the InChIKey of (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide?

The InChIKey is LXKWGWNWAQBARB-IOUFMXCOSA-N. The full InChI is InChI=1S/C25H31F2N5O2.C24H30FN5O2.C24H32N6O2.C24H31N5O3.C24H33N5O.C23H33N5O/c1-15-4-5-20-17(12-15)13-19(24-28-16(2)31-34-24)23(30-20)32-11-8-21(22(14-32)33-3)29-18-6-9-25(26,27)10-7-18;1-15-26-24(32-29-15)18-13-17-19(25)9-6-10-20(17)28-23(18)30-12-11-21(22(14-30)31-2)27-16-7-4-3-5-8-16;1-15-9-10-18-20(13-15)27-22(24-25-16(2)29-32-24)23(28-18)30-12-11-19(21(14-30)31-3)26-17-7-5-4-6-8-17;1-15-4-5-20-17(12-15)13-19(24-25-16(2)28-32-24)23(27-20)29-9-6-21(22(14-29)30-3)26-18-7-10-31-11-8-18;1-6-18-7-8-22-19(13-18)14-21(24-26-17(5)28-30-24)23(27-22)29-11-9-20(10-12-29)25-16(4)15(2)3;1-14(2)16(4)25-19-8-10-28(11-9-19)23-20(22(24)26-17(5)29)13-18-12-15(3)6-7-21(18)27-23/h4-5,12-13,18,21-22,29H,6-11,14H2,1-3H3;6,9-10,13,16,21-22,27H,3-5,7-8,11-12,14H2,1-2H3;9-10,13,17,19,21,26H,4-8,11-12,14H2,1-3H3;4-5,12-13,18,21-22,26H,6-11,14H2,1-3H3;7-8,13-16,20,25H,6,9-12H2,1-5H3;6-7,12-14,16,19,25H,8-11H2,1-5H3,(H2,24,26,29)/t2*21-,22+;19-,21+;21-,22+;2*16-/m111011/s1.

What are the key properties of (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide?

(3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide has a molecular weight of 2588.30 g/mol, XLogP of 24.35, 31 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-N-cyclohexyl-1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine;(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]piperidin-4-amine;(3S,4R)-N-(4,4-difluorocyclohexyl)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine;(3R,4S)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-[6-methyl-2-[4-[[(2R)-3-methylbutan-2-yl]amino]piperidin-1-yl]quinoline-3-carboximidoyl]acetamide is sourced from PubChem (CID 159484662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).