tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide

C258H318Cl2F4N40O16 — CID 162109717

IUPACtert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)cn2)CC1.CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(F)c(-c5cccnc5)c4)CC3)cn2)CC1.CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)cn2)CC1.CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)cn2)CC1.Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)ccc2C)cc1.Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)ccc2F)cc1.Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)c2C)cc1.Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)c2F)cc1
InChIInChI=1S/2C33H41ClN6O3.2C33H41FN6O3.2C32H40N4O.2C31H37FN4O/c1-33(2,3)43-32(42)38-26-13-18-40(19-14-26)29-10-9-23(20-36-29)22-39-16-11-25(12-17-39)37-31(41)28-8-4-7-27(30(28)34)24-6-5-15-35-21-24;1-33(2,3)43-32(42)38-27-12-17-40(18-13-27)30-9-6-23(20-36-30)22-39-15-10-26(11-16-39)37-31(41)24-7-8-29(34)28(19-24)25-5-4-14-35-21-25;1-33(2,3)43-32(42)38-26-13-18-40(19-14-26)29-10-9-23(20-36-29)22-39-16-11-25(12-17-39)37-31(41)28-8-4-7-27(30(28)34)24-6-5-15-35-21-24;1-33(2,3)43-32(42)38-27-12-17-40(18-13-27)30-9-6-23(20-36-30)22-39-15-10-26(11-16-39)37-31(41)24-7-8-29(34)28(19-24)25-5-4-14-35-21-25;1-23-4-8-27(9-5-23)30-20-28(10-6-25(30)3)32(37)34-29-14-16-35(17-15-29)22-26-7-11-31(33-21-26)36-18-12-24(2)13-19-36;1-23-7-10-27(11-8-23)29-5-4-6-30(25(29)3)32(37)34-28-15-17-35(18-16-28)22-26-9-12-31(33-21-26)36-19-13-24(2)14-20-36;1-22-3-6-25(7-4-22)28-19-26(8-9-29(28)32)31(37)34-27-13-15-35(16-14-27)21-24-5-10-30(33-20-24)36-17-11-23(2)12-18-36;1-22-6-9-25(10-7-22)27-4-3-5-28(30(27)32)31(37)34-26-14-16-35(17-15-26)21-24-8-11-29(33-20-24)36-18-12-23(2)13-19-36/h4-10,15,20-21,25-26H,11-14,16-19,22H2,1-3H3,(H,37,41)(H,38,42);4-9,14,19-21,26-27H,10-13,15-18,22H2,1-3H3,(H,37,41)(H,38,42);4-10,15,20-21,25-26H,11-14,16-19,22H2,1-3H3,(H,37,41)(H,38,42);4-9,14,19-21,26-27H,10-13,15-18,22H2,1-3H3,(H,37,41)(H,38,42);4-11,20-21,24,29H,12-19,22H2,1-3H3,(H,34,37);4-12,21,24,28H,13-20,22H2,1-3H3,(H,34,37);3-10,19-20,23,27H,11-18,21H2,1-2H3,(H,34,37);3-11,20,23,26H,12-19,21H2,1-2H3,(H,34,37)
InChIKeyZFZHXBGVXHNLPM-UHFFFAOYSA-N
MW4382.54 g/mol
LogP45.36
Rot. Bonds52

About tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide

tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide (PubChem CID 162109717) has the molecular formula C258H318Cl2F4N40O16 and a molecular weight of 4382.54 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Nametert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide
PubChem CID162109717
Molecular FormulaC258H318Cl2F4N40O16
Molecular Weight4382.54 g/mol
Exact Mass4378.46
IUPAC Nametert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)cn2)CC1.CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(F)c(-c5cccnc5)c4)CC3)cn2)CC1.CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)cn2)CC1.CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)cn2)CC1.Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)ccc2C)cc1.Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)ccc2F)cc1.Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)c2C)cc1.Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)c2F)cc1
InChIInChI=1S/2C33H41ClN6O3.2C33H41FN6O3.2C32H40N4O.2C31H37FN4O/c1-33(2,3)43-32(42)38-26-13-18-40(19-14-26)29-10-9-23(20-36-29)22-39-16-11-25(12-17-39)37-31(41)28-8-4-7-27(30(28)34)24-6-5-15-35-21-24;1-33(2,3)43-32(42)38-27-12-17-40(18-13-27)30-9-6-23(20-36-30)22-39-15-10-26(11-16-39)37-31(41)24-7-8-29(34)28(19-24)25-5-4-14-35-21-25;1-33(2,3)43-32(42)38-26-13-18-40(19-14-26)29-10-9-23(20-36-29)22-39-16-11-25(12-17-39)37-31(41)28-8-4-7-27(30(28)34)24-6-5-15-35-21-24;1-33(2,3)43-32(42)38-27-12-17-40(18-13-27)30-9-6-23(20-36-30)22-39-15-10-26(11-16-39)37-31(41)24-7-8-29(34)28(19-24)25-5-4-14-35-21-25;1-23-4-8-27(9-5-23)30-20-28(10-6-25(30)3)32(37)34-29-14-16-35(17-15-29)22-26-7-11-31(33-21-26)36-18-12-24(2)13-19-36;1-23-7-10-27(11-8-23)29-5-4-6-30(25(29)3)32(37)34-28-15-17-35(18-16-28)22-26-9-12-31(33-21-26)36-19-13-24(2)14-20-36;1-22-3-6-25(7-4-22)28-19-26(8-9-29(28)32)31(37)34-27-13-15-35(16-14-27)21-24-5-10-30(33-20-24)36-17-11-23(2)12-18-36;1-22-6-9-25(10-7-22)27-4-3-5-28(30(27)32)31(37)34-26-14-16-35(17-15-26)21-24-8-11-29(33-20-24)36-18-12-23(2)13-19-36/h4-10,15,20-21,25-26H,11-14,16-19,22H2,1-3H3,(H,37,41)(H,38,42);4-9,14,19-21,26-27H,10-13,15-18,22H2,1-3H3,(H,37,41)(H,38,42);4-10,15,20-21,25-26H,11-14,16-19,22H2,1-3H3,(H,37,41)(H,38,42);4-9,14,19-21,26-27H,10-13,15-18,22H2,1-3H3,(H,37,41)(H,38,42);4-11,20-21,24,29H,12-19,22H2,1-3H3,(H,34,37);4-12,21,24,28H,13-20,22H2,1-3H3,(H,34,37);3-10,19-20,23,27H,11-18,21H2,1-2H3,(H,34,37);3-11,20,23,26H,12-19,21H2,1-2H3,(H,34,37)
InChIKeyZFZHXBGVXHNLPM-UHFFFAOYSA-N
XLogP45.36
TPSA592.64 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds52
Heavy Atoms320
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004382.54
LogP ≤ 545.36
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
CID 90076746
N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide
CID 118154803
4-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 73437917
2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 73438509
2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide
CID 158414593
4-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
CID 73437970
2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide
CID 118154773
4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
CID 73438337
4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 90076936
4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 118154894
2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154835
4-fluoro-2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 73437741

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide (CID 162109717) is tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide is CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)cn2)CC1.CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(F)c(-c5cccnc5)c4)CC3)cn2)CC1.CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)cn2)CC1.CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)cn2)CC1.Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)ccc2C)cc1.Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)ccc2F)cc1.Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)c2C)cc1.Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(C)CC5)nc4)CC3)c2F)cc1.
What is the InChIKey of tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is ZFZHXBGVXHNLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H41ClN6O3.2C33H41FN6O3.2C32H40N4O.2C31H37FN4O/c1-33(2,3)43-32(42)38-26-13-18-40(19-14-26)29-10-9-23(20-36-29)22-39-16-11-25(12-17-39)37-31(41)28-8-4-7-27(30(28)34)24-6-5-15-35-21-24;1-33(2,3)43-32(42)38-27-12-17-40(18-13-27)30-9-6-23(20-36-30)22-39-15-10-26(11-16-39)37-31(41)24-7-8-29(34)28(19-24)25-5-4-14-35-21-25;1-33(2,3)43-32(42)38-26-13-18-40(19-14-26)29-10-9-23(20-36-29)22-39-16-11-25(12-17-39)37-31(41)28-8-4-7-27(30(28)34)24-6-5-15-35-21-24;1-33(2,3)43-32(42)38-27-12-17-40(18-13-27)30-9-6-23(20-36-30)22-39-15-10-26(11-16-39)37-31(41)24-7-8-29(34)28(19-24)25-5-4-14-35-21-25;1-23-4-8-27(9-5-23)30-20-28(10-6-25(30)3)32(37)34-29-14-16-35(17-15-29)22-26-7-11-31(33-21-26)36-18-12-24(2)13-19-36;1-23-7-10-27(11-8-23)29-5-4-6-30(25(29)3)32(37)34-28-15-17-35(18-16-28)22-26-9-12-31(33-21-26)36-19-13-24(2)14-20-36;1-22-3-6-25(7-4-22)28-19-26(8-9-29(28)32)31(37)34-27-13-15-35(16-14-27)21-24-5-10-30(33-20-24)36-17-11-23(2)12-18-36;1-22-6-9-25(10-7-22)27-4-3-5-28(30(27)32)31(37)34-26-14-16-35(17-15-26)21-24-8-11-29(33-20-24)36-18-12-23(2)13-19-36/h4-10,15,20-21,25-26H,11-14,16-19,22H2,1-3H3,(H,37,41)(H,38,42);4-9,14,19-21,26-27H,10-13,15-18,22H2,1-3H3,(H,37,41)(H,38,42);4-10,15,20-21,25-26H,11-14,16-19,22H2,1-3H3,(H,37,41)(H,38,42);4-9,14,19-21,26-27H,10-13,15-18,22H2,1-3H3,(H,37,41)(H,38,42);4-11,20-21,24,29H,12-19,22H2,1-3H3,(H,34,37);4-12,21,24,28H,13-20,22H2,1-3H3,(H,34,37);3-10,19-20,23,27H,11-18,21H2,1-2H3,(H,34,37);3-11,20,23,26H,12-19,21H2,1-2H3,(H,34,37).
What are the key properties of tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide?
tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 4382.54 g/mol, XLogP of 45.36, 52 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 162109717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).