3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

C121H163N27O12 — CID 159213263

About 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 159213263) has the molecular formula C121H163N27O12 and a molecular weight of 2187.81 g/mol. Its IUPAC name is 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

• Compound Name: 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
• PubChem CID: 159213263
• Molecular Formula: C121H163N27O12
• Molecular Weight: 2187.81 g/mol
• Exact Mass: 2186.30
• IUPAC Name: 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
• SMILES: CCOC(=O)c1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCCC3O)CC2)n1.Cc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3noc(C)n3)cc2c1.[H]/N=C(\C)NC(=O)c1nc2ccccc2nc1N1CC[C@@H](NC2CCCCC2)[C@@H](OC)C1.[H]/N=C(\C)NC(=O)c1nc2ccccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\CC)NC(=O)c1cc2cc(C)ccc2nc1N1CC[C@@H](NC2CCCCC2)[C@H](OC)C1
• InChI: InChI=1S/C26H33N5O4.C26H37N5O2.2C23H32N6O2.C23H29N5O2/c1-3-34-26(33)23-29-25(35-30-23)19-15-17-14-16(2)8-9-20(17)28-24(19)31-12-10-18(11-13-31)27-21-6-4-5-7-22(21)32;1-4-24(27)30-26(32)20-15-18-14-17(2)10-11-21(18)29-25(20)31-13-12-22(23(16-31)33-3)28-19-8-6-5-7-9-19;2*1-15(24)25-23(30)21-22(28-18-11-7-6-10-17(18)27-21)29-13-12-19(20(14-29)31-2)26-16-8-4-3-5-9-16;1-15-3-4-21-17(13-15)14-20(22-24-16(2)30-27-22)23(26-21)28-9-5-18(6-10-28)25-19-7-11-29-12-8-19/h8-9,14-15,18,21-22,27,32H,3-7,10-13H2,1-2H3;10-11,14-15,19,22-23,28H,4-9,12-13,16H2,1-3H3,(H2,27,30,32);2*6-7,10-11,16,19-20,26H,3-5,8-9,12-14H2,1-2H3,(H2,24,25,30);3-4,13-14,18-19,25H,5-12H2,1-2H3/t;22-,23-;2*19-,20+;/m.110./s1
• InChIKey: KQTKKSXNJDSSAG-DCVWWLQFSA-N
• XLogP: 17.19
• TPSA: 486.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2187.81
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

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 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?

The IUPAC name of 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (CID 159213263) is 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.

What is the SMILES notation for 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?

The canonical SMILES for 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is CCOC(=O)c1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCCC3O)CC2)n1.Cc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3noc(C)n3)cc2c1.[H]/N=C(\C)NC(=O)c1nc2ccccc2nc1N1CC[C@@H](NC2CCCCC2)[C@@H](OC)C1.[H]/N=C(\C)NC(=O)c1nc2ccccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\CC)NC(=O)c1cc2cc(C)ccc2nc1N1CC[C@@H](NC2CCCCC2)[C@H](OC)C1.

What is the InChIKey of 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?

The InChIKey is KQTKKSXNJDSSAG-DCVWWLQFSA-N. The full InChI is InChI=1S/C26H33N5O4.C26H37N5O2.2C23H32N6O2.C23H29N5O2/c1-3-34-26(33)23-29-25(35-30-23)19-15-17-14-16(2)8-9-20(17)28-24(19)31-12-10-18(11-13-31)27-21-6-4-5-7-22(21)32;1-4-24(27)30-26(32)20-15-18-14-17(2)10-11-21(18)29-25(20)31-13-12-22(23(16-31)33-3)28-19-8-6-5-7-9-19;2*1-15(24)25-23(30)21-22(28-18-11-7-6-10-17(18)27-21)29-13-12-19(20(14-29)31-2)26-16-8-4-3-5-9-16;1-15-3-4-21-17(13-15)14-20(22-24-16(2)30-27-22)23(26-21)28-9-5-18(6-10-28)25-19-7-11-29-12-8-19/h8-9,14-15,18,21-22,27,32H,3-7,10-13H2,1-2H3;10-11,14-15,19,22-23,28H,4-9,12-13,16H2,1-3H3,(H2,27,30,32);2*6-7,10-11,16,19-20,26H,3-5,8-9,12-14H2,1-2H3,(H2,24,25,30);3-4,13-14,18-19,25H,5-12H2,1-2H3/t;22-,23-;2*19-,20+;/m.110./s1.

What are the key properties of 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?

3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 2187.81 g/mol, XLogP of 17.19, 26 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 159213263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).