N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide

C236H266N34O19 — CID 163967899

IUPACN-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide
SMILESCc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(OCc4ccccc4)c(C)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4c(C)[nH]nc4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4cc[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4nc(C)[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4nc(CCO)[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC[C@H](N)C3)cc(NC(=O)c3ccc(C)c(Oc4ccc(C)nc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC[C@H](O)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C33H38N4O2.C32H35N3O3.C31H35N5O2.C31H33N3O3.C28H33N5O3.2C27H31N5O2.C27H30N4O2/c1-23-11-14-37(19-23)30-17-27(21-36-13-12-31(34)25(3)20-36)16-29(18-30)35-33(38)28-9-10-32(24(2)15-28)39-22-26-7-5-4-6-8-26;1-22-11-14-35(19-22)28-16-25(21-34-13-12-30(36)24(3)20-34)15-27(18-28)33-32(37)26-10-9-23(2)31(17-26)38-29-7-5-4-6-8-29;1-21-10-12-36(18-21)28-14-24(19-35-11-4-5-26(32)20-35)13-27(16-28)34-31(37)25-8-6-22(2)30(15-25)38-29-9-7-23(3)33-17-29;1-22-12-14-34(19-22)27-16-24(20-33-13-6-7-28(35)21-33)15-26(18-27)32-31(36)25-11-10-23(2)30(17-25)37-29-8-4-3-5-9-29;1-18-5-9-33(15-18)23-12-20(17-32-8-6-26(35)19(2)16-32)11-22(14-23)29-28(36)21-3-4-24-25(13-21)31-27(30-24)7-10-34;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)30-27(34)21-4-5-24-25(12-21)29-19(3)28-24;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)28-27(34)21-4-5-24-19(3)29-30-25(24)12-21;1-18-6-10-31(15-18)24-12-20(17-30-9-7-26(32)19(2)16-30)11-23(14-24)29-27(33)22-4-3-21-5-8-28-25(21)13-22/h4-11,14-19,25,31H,12-13,20-22,34H2,1-3H3,(H,35,38);4-11,14-19,24,30,36H,12-13,20-21H2,1-3H3,(H,33,37);6-10,12-18,26H,4-5,11,19-20,32H2,1-3H3,(H,34,37);3-5,8-12,14-19,28,35H,6-7,13,20-21H2,1-2H3,(H,32,36);3-5,9,11-15,19,26,34-35H,6-8,10,16-17H2,1-2H3,(H,29,36)(H,30,31);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,29)(H,30,34);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,34)(H,29,30);3-6,8,10-15,19,26,28,32H,7,9,16-17H2,1-2H3,(H,29,33)/t;;26-;28-;;;;/m..00..../s1
InChIKeySNKQNPZDTIUGHC-HWQFDJIBSA-N
MW3882.94 g/mol
LogP41.52
Rot. Bonds51

About N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide

N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide (PubChem CID 163967899) has the molecular formula C236H266N34O19 and a molecular weight of 3882.94 g/mol. Its IUPAC name is N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide
PubChem CID163967899
Molecular FormulaC236H266N34O19
Molecular Weight3882.94 g/mol
Exact Mass3880.09
IUPAC NameN-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide
SMILESCc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(OCc4ccccc4)c(C)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4c(C)[nH]nc4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4cc[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4nc(C)[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4nc(CCO)[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC[C@H](N)C3)cc(NC(=O)c3ccc(C)c(Oc4ccc(C)nc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC[C@H](O)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C33H38N4O2.C32H35N3O3.C31H35N5O2.C31H33N3O3.C28H33N5O3.2C27H31N5O2.C27H30N4O2/c1-23-11-14-37(19-23)30-17-27(21-36-13-12-31(34)25(3)20-36)16-29(18-30)35-33(38)28-9-10-32(24(2)15-28)39-22-26-7-5-4-6-8-26;1-22-11-14-35(19-22)28-16-25(21-34-13-12-30(36)24(3)20-34)15-27(18-28)33-32(37)26-10-9-23(2)31(17-26)38-29-7-5-4-6-8-29;1-21-10-12-36(18-21)28-14-24(19-35-11-4-5-26(32)20-35)13-27(16-28)34-31(37)25-8-6-22(2)30(15-25)38-29-9-7-23(3)33-17-29;1-22-12-14-34(19-22)27-16-24(20-33-13-6-7-28(35)21-33)15-26(18-27)32-31(36)25-11-10-23(2)30(17-25)37-29-8-4-3-5-9-29;1-18-5-9-33(15-18)23-12-20(17-32-8-6-26(35)19(2)16-32)11-22(14-23)29-28(36)21-3-4-24-25(13-21)31-27(30-24)7-10-34;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)30-27(34)21-4-5-24-25(12-21)29-19(3)28-24;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)28-27(34)21-4-5-24-19(3)29-30-25(24)12-21;1-18-6-10-31(15-18)24-12-20(17-30-9-7-26(32)19(2)16-30)11-23(14-24)29-27(33)22-4-3-21-5-8-28-25(21)13-22/h4-11,14-19,25,31H,12-13,20-22,34H2,1-3H3,(H,35,38);4-11,14-19,24,30,36H,12-13,20-21H2,1-3H3,(H,33,37);6-10,12-18,26H,4-5,11,19-20,32H2,1-3H3,(H,34,37);3-5,8-12,14-19,28,35H,6-7,13,20-21H2,1-2H3,(H,32,36);3-5,9,11-15,19,26,34-35H,6-8,10,16-17H2,1-2H3,(H,29,36)(H,30,31);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,29)(H,30,34);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,34)(H,29,30);3-6,8,10-15,19,26,28,32H,7,9,16-17H2,1-2H3,(H,29,33)/t;;26-;28-;;;;/m..00..../s1
InChIKeySNKQNPZDTIUGHC-HWQFDJIBSA-N
XLogP41.52
TPSA643.45 Ų
H-Bond Donors21
H-Bond Acceptors41
Rotatable Bonds51
Heavy Atoms289
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003882.94
LogP ≤ 541.52
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1041

Analyze N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide?
The IUPAC name of N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide (CID 163967899) is N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide.
What is the SMILES notation for N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide?
The canonical SMILES for N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide is Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(OCc4ccccc4)c(C)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4c(C)[nH]nc4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4cc[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4nc(C)[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4nc(CCO)[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC[C@H](N)C3)cc(NC(=O)c3ccc(C)c(Oc4ccc(C)nc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC[C@H](O)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1.
What is the InChIKey of N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide?
The InChIKey is SNKQNPZDTIUGHC-HWQFDJIBSA-N. The full InChI is InChI=1S/C33H38N4O2.C32H35N3O3.C31H35N5O2.C31H33N3O3.C28H33N5O3.2C27H31N5O2.C27H30N4O2/c1-23-11-14-37(19-23)30-17-27(21-36-13-12-31(34)25(3)20-36)16-29(18-30)35-33(38)28-9-10-32(24(2)15-28)39-22-26-7-5-4-6-8-26;1-22-11-14-35(19-22)28-16-25(21-34-13-12-30(36)24(3)20-34)15-27(18-28)33-32(37)26-10-9-23(2)31(17-26)38-29-7-5-4-6-8-29;1-21-10-12-36(18-21)28-14-24(19-35-11-4-5-26(32)20-35)13-27(16-28)34-31(37)25-8-6-22(2)30(15-25)38-29-9-7-23(3)33-17-29;1-22-12-14-34(19-22)27-16-24(20-33-13-6-7-28(35)21-33)15-26(18-27)32-31(36)25-11-10-23(2)30(17-25)37-29-8-4-3-5-9-29;1-18-5-9-33(15-18)23-12-20(17-32-8-6-26(35)19(2)16-32)11-22(14-23)29-28(36)21-3-4-24-25(13-21)31-27(30-24)7-10-34;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)30-27(34)21-4-5-24-25(12-21)29-19(3)28-24;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)28-27(34)21-4-5-24-19(3)29-30-25(24)12-21;1-18-6-10-31(15-18)24-12-20(17-30-9-7-26(32)19(2)16-30)11-23(14-24)29-27(33)22-4-3-21-5-8-28-25(21)13-22/h4-11,14-19,25,31H,12-13,20-22,34H2,1-3H3,(H,35,38);4-11,14-19,24,30,36H,12-13,20-21H2,1-3H3,(H,33,37);6-10,12-18,26H,4-5,11,19-20,32H2,1-3H3,(H,34,37);3-5,8-12,14-19,28,35H,6-7,13,20-21H2,1-2H3,(H,32,36);3-5,9,11-15,19,26,34-35H,6-8,10,16-17H2,1-2H3,(H,29,36)(H,30,31);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,29)(H,30,34);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,34)(H,29,30);3-6,8,10-15,19,26,28,32H,7,9,16-17H2,1-2H3,(H,29,33)/t;;26-;28-;;;;/m..00..../s1.
What are the key properties of N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide?
N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide has a molecular weight of 3882.94 g/mol, XLogP of 41.52, 51 rotatable bonds, 21 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-4-phenylmethoxybenzamide;N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide is sourced from PubChem (CID 163967899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).