(3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate

C142H202N28O11 — CID 159316375

IUPAC(3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate
SMILESCO[C@H]1CN(c2nc3ccc(C)cc3cc2C(=O)OC(C)C)CC[C@H]1NC1CCCCC1.Cc1ccc2nc(N3CCC(NC4CCCCC4C)CC3)c(-c3nc(C)no3)cc2c1.[H]/N=C(C)\C=C/C(=N\[H])c1cc2ccccc2nc1N1CC[C@@H](NC2CCCCC2)[C@@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc(C)c(C)nc1N1CC[C@H](NC2CCCC2)[C@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc(C)cnc1N1CC[C@H](NC2CCCC2)[C@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc2cc(C)ccc2nc1N1CC[C@H](NC2CCCC2)[C@H](OC)C1
InChIInChI=1S/C26H35N5O.C26H37N3O3.C25H33N5O.C24H33N5O2.C21H33N5O2.C20H31N5O2/c1-18(27)12-13-22(28)21-16-19-8-6-7-11-23(19)30-26(21)31-15-14-24(25(17-31)32-2)29-20-9-4-3-5-10-20;1-17(2)32-26(30)21-15-19-14-18(3)10-11-22(19)28-25(21)29-13-12-23(24(16-29)31-4)27-20-8-6-5-7-9-20;1-16-8-9-23-19(14-16)15-21(25-26-18(3)29-31-25)24(28-23)30-12-10-20(11-13-30)27-22-7-5-4-6-17(22)2;1-15-8-9-20-17(12-15)13-19(24(30)26-16(2)25)23(28-20)29-11-10-21(22(14-29)31-3)27-18-6-4-5-7-18;1-13-11-17(21(27)24-15(3)22)20(23-14(13)2)26-10-9-18(19(12-26)28-4)25-16-7-5-6-8-16;1-13-10-16(20(26)23-14(2)21)19(22-11-13)25-9-8-17(18(12-25)27-3)24-15-6-4-5-7-15/h6-8,11-13,16,20,24-25,27-29H,3-5,9-10,14-15,17H2,1-2H3;10-11,14-15,17,20,23-24,27H,5-9,12-13,16H2,1-4H3;8-9,14-15,17,20,22,27H,4-7,10-13H2,1-3H3;8-9,12-13,18,21-22,27H,4-7,10-11,14H2,1-3H3,(H2,25,26,30);11,16,18-19,25H,5-10,12H2,1-4H3,(H2,22,24,27);10-11,15,17-18,24H,4-9,12H2,1-3H3,(H2,21,23,26)/b13-12-,27-18-,28-22+;;;;;/t24-,25+;23-,24+;;21-,22+;18-,19+;17-,18+/m11.000/s1
InChIKeyLDEODMGVIORLCM-RGOXZVDBSA-N
MW2477.36 g/mol
LogP22.57
Rot. Bonds32

About (3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate

(3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate (PubChem CID 159316375) has the molecular formula C142H202N28O11 and a molecular weight of 2477.36 g/mol. Its IUPAC name is (3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name(3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate
PubChem CID159316375
Molecular FormulaC142H202N28O11
Molecular Weight2477.36 g/mol
Exact Mass2475.61
IUPAC Name(3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate
SMILESCO[C@H]1CN(c2nc3ccc(C)cc3cc2C(=O)OC(C)C)CC[C@H]1NC1CCCCC1.Cc1ccc2nc(N3CCC(NC4CCCCC4C)CC3)c(-c3nc(C)no3)cc2c1.[H]/N=C(C)\C=C/C(=N\[H])c1cc2ccccc2nc1N1CC[C@@H](NC2CCCCC2)[C@@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc(C)c(C)nc1N1CC[C@H](NC2CCCC2)[C@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc(C)cnc1N1CC[C@H](NC2CCCC2)[C@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc2cc(C)ccc2nc1N1CC[C@H](NC2CCCC2)[C@H](OC)C1
InChIInChI=1S/C26H35N5O.C26H37N3O3.C25H33N5O.C24H33N5O2.C21H33N5O2.C20H31N5O2/c1-18(27)12-13-22(28)21-16-19-8-6-7-11-23(19)30-26(21)31-15-14-24(25(17-31)32-2)29-20-9-4-3-5-10-20;1-17(2)32-26(30)21-15-19-14-18(3)10-11-22(19)28-25(21)29-13-12-23(24(16-29)31-4)27-20-8-6-5-7-9-20;1-16-8-9-23-19(14-16)15-21(25-26-18(3)29-31-25)24(28-23)30-12-10-20(11-13-30)27-22-7-5-4-6-17(22)2;1-15-8-9-20-17(12-15)13-19(24(30)26-16(2)25)23(28-20)29-11-10-21(22(14-29)31-3)27-18-6-4-5-7-18;1-13-11-17(21(27)24-15(3)22)20(23-14(13)2)26-10-9-18(19(12-26)28-4)25-16-7-5-6-8-16;1-13-10-16(20(26)23-14(2)21)19(22-11-13)25-9-8-17(18(12-25)27-3)24-15-6-4-5-7-15/h6-8,11-13,16,20,24-25,27-29H,3-5,9-10,14-15,17H2,1-2H3;10-11,14-15,17,20,23-24,27H,5-9,12-13,16H2,1-4H3;8-9,14-15,17,20,22,27H,4-7,10-13H2,1-3H3;8-9,12-13,18,21-22,27H,4-7,10-11,14H2,1-3H3,(H2,25,26,30);11,16,18-19,25H,5-10,12H2,1-4H3,(H2,22,24,27);10-11,15,17-18,24H,4-9,12H2,1-3H3,(H2,21,23,26)/b13-12-,27-18-,28-22+;;;;;/t24-,25+;23-,24+;;21-,22+;18-,19+;17-,18+/m11.000/s1
InChIKeyLDEODMGVIORLCM-RGOXZVDBSA-N
XLogP22.57
TPSA486.88 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002477.36
LogP ≤ 522.57
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze (3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate with MolForge

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Related Compounds

(3S,4R)-N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
CID 72943445
(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 118263865
N-cyclohexyl-1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
CID 118263873
N-cyclohexyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 118263765
N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine
CID 118263837
N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
CID 118263859
(3S,4R)-N-cyclohexyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
CID 118263868
N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
CID 118263877
1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine
CID 118263894
3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 118263895
(3S,4R)-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 118264076
(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
CID 118264099

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate?
The IUPAC name of (3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate (CID 159316375) is (3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate.
What is the SMILES notation for (3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate?
The canonical SMILES for (3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate is CO[C@H]1CN(c2nc3ccc(C)cc3cc2C(=O)OC(C)C)CC[C@H]1NC1CCCCC1.Cc1ccc2nc(N3CCC(NC4CCCCC4C)CC3)c(-c3nc(C)no3)cc2c1.[H]/N=C(C)\C=C/C(=N\[H])c1cc2ccccc2nc1N1CC[C@@H](NC2CCCCC2)[C@@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc(C)c(C)nc1N1CC[C@H](NC2CCCC2)[C@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc(C)cnc1N1CC[C@H](NC2CCCC2)[C@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc2cc(C)ccc2nc1N1CC[C@H](NC2CCCC2)[C@H](OC)C1.
What is the InChIKey of (3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate?
The InChIKey is LDEODMGVIORLCM-RGOXZVDBSA-N. The full InChI is InChI=1S/C26H35N5O.C26H37N3O3.C25H33N5O.C24H33N5O2.C21H33N5O2.C20H31N5O2/c1-18(27)12-13-22(28)21-16-19-8-6-7-11-23(19)30-26(21)31-15-14-24(25(17-31)32-2)29-20-9-4-3-5-10-20;1-17(2)32-26(30)21-15-19-14-18(3)10-11-22(19)28-25(21)29-13-12-23(24(16-29)31-4)27-20-8-6-5-7-9-20;1-16-8-9-23-19(14-16)15-21(25-26-18(3)29-31-25)24(28-23)30-12-10-20(11-13-30)27-22-7-5-4-6-17(22)2;1-15-8-9-20-17(12-15)13-19(24(30)26-16(2)25)23(28-20)29-11-10-21(22(14-29)31-3)27-18-6-4-5-7-18;1-13-11-17(21(27)24-15(3)22)20(23-14(13)2)26-10-9-18(19(12-26)28-4)25-16-7-5-6-8-16;1-13-10-16(20(26)23-14(2)21)19(22-11-13)25-9-8-17(18(12-25)27-3)24-15-6-4-5-7-15/h6-8,11-13,16,20,24-25,27-29H,3-5,9-10,14-15,17H2,1-2H3;10-11,14-15,17,20,23-24,27H,5-9,12-13,16H2,1-4H3;8-9,14-15,17,20,22,27H,4-7,10-13H2,1-3H3;8-9,12-13,18,21-22,27H,4-7,10-11,14H2,1-3H3,(H2,25,26,30);11,16,18-19,25H,5-10,12H2,1-4H3,(H2,22,24,27);10-11,15,17-18,24H,4-9,12H2,1-3H3,(H2,21,23,26)/b13-12-,27-18-,28-22+;;;;;/t24-,25+;23-,24+;;21-,22+;18-,19+;17-,18+/m11.000/s1.
What are the key properties of (3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate?
(3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate has a molecular weight of 2477.36 g/mol, XLogP of 22.57, 32 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5,6-dimethylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide;2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide;N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;propan-2-yl 2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 159316375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).