2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate

C134H151Cl3N22O12 — CID 159189995

About 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate

2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate (PubChem CID 159189995) has the molecular formula C134H151Cl3N22O12 and a molecular weight of 2368.18 g/mol. Its IUPAC name is 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate
• PubChem CID: 159189995
• Molecular Formula: C134H151Cl3N22O12
• Molecular Weight: 2368.18 g/mol
• Exact Mass: 2365.09
• IUPAC Name: 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate
• SMILES: COC(=O)c1ccnc(-c2nc(CN3CCC(c4cc(C)cc(Cl)c4)CC3)cn2C)c1.COC(=O)c1ccnc(-c2ncc(CN3CCC(c4cc(C)cc(Cl)c4)CC3)n2C)c1.COC(=O)c1ccnc(-c2nccn2Cc2ccc(CN3CCC(NCCc4ccccc4)CC3)cc2OC)c1.COc1cc(CN2CCC(NCCc3ccccc3)CC2)ccc1Cn1ccnc1-c1cc(C(=O)O)ccn1.Cc1cc(Cl)cc(C2CCN(Cc3cnc(-c4cc(C(=O)O)ccn4)n3C)CC2)c1
• InChI: InChI=1S/C32H37N5O3.C31H35N5O3.2C24H27ClN4O2.C23H25ClN4O2/c1-39-30-20-25(22-36-17-12-28(13-18-36)33-14-10-24-6-4-3-5-7-24)8-9-27(30)23-37-19-16-35-31(37)29-21-26(11-15-34-29)32(38)40-2;1-39-29-19-24(21-35-16-11-27(12-17-35)32-13-9-23-5-3-2-4-6-23)7-8-26(29)22-36-18-15-34-30(36)28-20-25(31(37)38)10-14-33-28;1-16-10-19(12-20(25)11-16)17-5-8-29(9-6-17)15-21-14-28(2)23(27-21)22-13-18(4-7-26-22)24(30)31-3;1-16-10-19(12-20(25)11-16)17-5-8-29(9-6-17)15-21-14-27-23(28(21)2)22-13-18(4-7-26-22)24(30)31-3;1-15-9-18(11-19(24)10-15)16-4-7-28(8-5-16)14-20-13-26-22(27(20)2)21-12-17(23(29)30)3-6-25-21/h3-9,11,15-16,19-21,28,33H,10,12-14,17-18,22-23H2,1-2H3;2-8,10,14-15,18-20,27,32H,9,11-13,16-17,21-22H2,1H3,(H,37,38);2*4,7,10-14,17H,5-6,8-9,15H2,1-3H3;3,6,9-13,16H,4-5,7-8,14H2,1-2H3,(H,29,30)
• InChIKey: KNYSXCJORBSHLH-UHFFFAOYSA-N
• XLogP: 22.82
• TPSA: 365.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.18
LogP ≤ 5	22.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate?

The IUPAC name of 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate (CID 159189995) is 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate.

What is the SMILES notation for 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate?

The canonical SMILES for 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-c2nc(CN3CCC(c4cc(C)cc(Cl)c4)CC3)cn2C)c1.COC(=O)c1ccnc(-c2ncc(CN3CCC(c4cc(C)cc(Cl)c4)CC3)n2C)c1.COC(=O)c1ccnc(-c2nccn2Cc2ccc(CN3CCC(NCCc4ccccc4)CC3)cc2OC)c1.COc1cc(CN2CCC(NCCc3ccccc3)CC2)ccc1Cn1ccnc1-c1cc(C(=O)O)ccn1.Cc1cc(Cl)cc(C2CCN(Cc3cnc(-c4cc(C(=O)O)ccn4)n3C)CC2)c1.

What is the InChIKey of 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate?

The InChIKey is KNYSXCJORBSHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3.C31H35N5O3.2C24H27ClN4O2.C23H25ClN4O2/c1-39-30-20-25(22-36-17-12-28(13-18-36)33-14-10-24-6-4-3-5-7-24)8-9-27(30)23-37-19-16-35-31(37)29-21-26(11-15-34-29)32(38)40-2;1-39-29-19-24(21-35-16-11-27(12-17-35)32-13-9-23-5-3-2-4-6-23)7-8-26(29)22-36-18-15-34-30(36)28-20-25(31(37)38)10-14-33-28;1-16-10-19(12-20(25)11-16)17-5-8-29(9-6-17)15-21-14-28(2)23(27-21)22-13-18(4-7-26-22)24(30)31-3;1-16-10-19(12-20(25)11-16)17-5-8-29(9-6-17)15-21-14-27-23(28(21)2)22-13-18(4-7-26-22)24(30)31-3;1-15-9-18(11-19(24)10-15)16-4-7-28(8-5-16)14-20-13-26-22(27(20)2)21-12-17(23(29)30)3-6-25-21/h3-9,11,15-16,19-21,28,33H,10,12-14,17-18,22-23H2,1-2H3;2-8,10,14-15,18-20,27,32H,9,11-13,16-17,21-22H2,1H3,(H,37,38);2*4,7,10-14,17H,5-6,8-9,15H2,1-3H3;3,6,9-13,16H,4-5,7-8,14H2,1-2H3,(H,29,30).

What are the key properties of 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate?

2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate has a molecular weight of 2368.18 g/mol, XLogP of 22.82, 37 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate is sourced from PubChem (CID 159189995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).