N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine

C115H157N25O11 — CID 157468641

About N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine

N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 157468641) has the molecular formula C115H157N25O11 and a molecular weight of 2065.68 g/mol. Its IUPAC name is N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

• Compound Name: N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
• PubChem CID: 157468641
• Molecular Formula: C115H157N25O11
• Molecular Weight: 2065.68 g/mol
• Exact Mass: 2064.25
• IUPAC Name: N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
• SMILES: CCOC(=O)c1nc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(CO)C1.COC1CN(c2nc3ccc(C)cc3nc2-c2nc(C)no2)CCC1NCC(C)C.COC1CN(c2nc3ccccc3cc2-c2nc(C)no2)CCC1NCC(C)C.[H]/N=C(\C)NC(=O)c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCC2O)CC1.[H]/N=C(\C)NC(=O)c1cc2cc(C)ccc2nc1N1CCC(N[C@H]2CCC[C@@H]2O)CC1
• InChI: InChI=1S/C24H33N5O2.C24H34N4O3.C23H31N5O2.C22H30N6O2.C22H29N5O2/c1-15-7-8-20-17(13-15)14-19(24(31)26-16(2)25)23(28-20)29-11-9-18(10-12-29)27-21-5-3-4-6-22(21)30;1-3-31-24(30)22-23(27-20-10-9-16(2)13-21(20)26-22)28-12-11-19(17(14-28)15-29)25-18-7-5-4-6-8-18;1-14-6-7-19-16(12-14)13-18(23(30)25-15(2)24)22(27-19)28-10-8-17(9-11-28)26-20-4-3-5-21(20)29;1-13(2)11-23-17-8-9-28(12-19(17)29-5)21-20(22-24-15(4)27-30-22)25-18-10-14(3)6-7-16(18)26-21;1-14(2)12-23-19-9-10-27(13-20(19)28-4)21-17(22-24-15(3)26-29-22)11-16-7-5-6-8-18(16)25-21/h7-8,13-14,18,21-22,27,30H,3-6,9-12H2,1-2H3,(H2,25,26,31);9-10,13,17-19,25,29H,3-8,11-12,14-15H2,1-2H3;6-7,12-13,17,20-21,26,29H,3-5,8-11H2,1-2H3,(H2,24,25,30);6-7,10,13,17,19,23H,8-9,11-12H2,1-5H3;5-8,11,14,19-20,23H,9-10,12-13H2,1-4H3/t;;20-,21-;;/m..0../s1
• InChIKey: BUTNOABYLZSLFB-SQVVKZQFSA-N
• XLogP: 15.67
• TPSA: 455.77 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2065.68
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

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 N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?

The IUPAC name of N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine (CID 157468641) is N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine.

What is the SMILES notation for N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?

The canonical SMILES for N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine is CCOC(=O)c1nc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(CO)C1.COC1CN(c2nc3ccc(C)cc3nc2-c2nc(C)no2)CCC1NCC(C)C.COC1CN(c2nc3ccccc3cc2-c2nc(C)no2)CCC1NCC(C)C.[H]/N=C(\C)NC(=O)c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCC2O)CC1.[H]/N=C(\C)NC(=O)c1cc2cc(C)ccc2nc1N1CCC(N[C@H]2CCC[C@@H]2O)CC1.

What is the InChIKey of N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?

The InChIKey is BUTNOABYLZSLFB-SQVVKZQFSA-N. The full InChI is InChI=1S/C24H33N5O2.C24H34N4O3.C23H31N5O2.C22H30N6O2.C22H29N5O2/c1-15-7-8-20-17(13-15)14-19(24(31)26-16(2)25)23(28-20)29-11-9-18(10-12-29)27-21-5-3-4-6-22(21)30;1-3-31-24(30)22-23(27-20-10-9-16(2)13-21(20)26-22)28-12-11-19(17(14-28)15-29)25-18-7-5-4-6-8-18;1-14-6-7-19-16(12-14)13-18(23(30)25-15(2)24)22(27-19)28-10-8-17(9-11-28)26-20-4-3-5-21(20)29;1-13(2)11-23-17-8-9-28(12-19(17)29-5)21-20(22-24-15(4)27-30-22)25-18-10-14(3)6-7-16(18)26-21;1-14(2)12-23-19-9-10-27(13-20(19)28-4)21-17(22-24-15(3)26-29-22)11-16-7-5-6-8-18(16)25-21/h7-8,13-14,18,21-22,27,30H,3-6,9-12H2,1-2H3,(H2,25,26,31);9-10,13,17-19,25,29H,3-8,11-12,14-15H2,1-2H3;6-7,12-13,17,20-21,26,29H,3-5,8-11H2,1-2H3,(H2,24,25,30);6-7,10,13,17,19,23H,8-9,11-12H2,1-5H3;5-8,11,14,19-20,23H,9-10,12-13H2,1-4H3/t;;20-,21-;;/m..0../s1.

What are the key properties of N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?

N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 2065.68 g/mol, XLogP of 15.67, 26 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethanimidoyl-2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;N-ethanimidoyl-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethyl 3-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-7-methylquinoxaline-2-carboxylate;3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoxalin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 157468641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).