4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide

C170H217F3N22O22 — CID 158483006

IUPAC4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(CCc2cccc(OC(C)(F)F)c2)C1)C(=O)c1cc2ccccc2[nH]1.CCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc2ccccc2o1.CCN(CC1CCCN(CCc2ccccc2)C1)C(=O)c1cc2ccccc2[nH]1.COc1cc(CCNC(=O)C2CN(Cc3ccc(OC)c(F)c3)CCN2)cc(OC)c1.COc1cc(CCNC(=O)C2CN(Cc3ccc(OC)c(OC)c3)CCN2)cc(OC)c1.COc1cc(CCNC(=O)C2CN(c3nc4ccccc4[nH]3)CCN2)cc(OC)c1.COc1cccc(CN2CCNC(C(=O)NCCc3cc(OC)cc(OC)c3)C2)c1
InChIInChI=1S/C27H33F2N3O2.C26H32N2O3.C25H31N3O.C24H33N3O5.C23H30FN3O4.C23H31N3O4.C22H27N5O3/c1-3-32(26(33)25-17-22-10-4-5-12-24(22)30-25)19-21-9-7-14-31(18-21)15-13-20-8-6-11-23(16-20)34-27(2,28)29;1-3-28(26(29)25-17-22-10-4-5-12-24(22)31-25)19-21-9-7-14-27(18-21)15-13-20-8-6-11-23(16-20)30-2;1-2-28(25(29)24-17-22-12-6-7-13-23(22)26-24)19-21-11-8-15-27(18-21)16-14-20-9-4-3-5-10-20;1-29-19-11-17(12-20(14-19)30-2)7-8-26-24(28)21-16-27(10-9-25-21)15-18-5-6-22(31-3)23(13-18)32-4;1-29-18-10-16(11-19(13-18)30-2)6-7-26-23(28)21-15-27(9-8-25-21)14-17-4-5-22(31-3)20(24)12-17;1-28-19-6-4-5-18(13-19)15-26-10-9-24-22(16-26)23(27)25-8-7-17-11-20(29-2)14-21(12-17)30-3;1-29-16-11-15(12-17(13-16)30-2)7-8-24-21(28)20-14-27(10-9-23-20)22-25-18-5-3-4-6-19(18)26-22/h4-6,8,10-12,16-17,21,30H,3,7,9,13-15,18-19H2,1-2H3;4-6,8,10-12,16-17,21H,3,7,9,13-15,18-19H2,1-2H3;3-7,9-10,12-13,17,21,26H,2,8,11,14-16,18-19H2,1H3;5-6,11-14,21,25H,7-10,15-16H2,1-4H3,(H,26,28);4-5,10-13,21,25H,6-9,14-15H2,1-3H3,(H,26,28);4-6,11-14,22,24H,7-10,15-16H2,1-3H3,(H,25,27);3-6,11-13,20,23H,7-10,14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyHHTGMDPFQJEZJQ-UHFFFAOYSA-N
MW2977.73 g/mol
LogP22.42
Rot. Bonds59

About 4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide

4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 158483006) has the molecular formula C170H217F3N22O22 and a molecular weight of 2977.73 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID158483006
Molecular FormulaC170H217F3N22O22
Molecular Weight2977.73 g/mol
Exact Mass2975.65
IUPAC Name4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(CCc2cccc(OC(C)(F)F)c2)C1)C(=O)c1cc2ccccc2[nH]1.CCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc2ccccc2o1.CCN(CC1CCCN(CCc2ccccc2)C1)C(=O)c1cc2ccccc2[nH]1.COc1cc(CCNC(=O)C2CN(Cc3ccc(OC)c(F)c3)CCN2)cc(OC)c1.COc1cc(CCNC(=O)C2CN(Cc3ccc(OC)c(OC)c3)CCN2)cc(OC)c1.COc1cc(CCNC(=O)C2CN(c3nc4ccccc4[nH]3)CCN2)cc(OC)c1.COc1cccc(CN2CCNC(C(=O)NCCc3cc(OC)cc(OC)c3)C2)c1
InChIInChI=1S/C27H33F2N3O2.C26H32N2O3.C25H31N3O.C24H33N3O5.C23H30FN3O4.C23H31N3O4.C22H27N5O3/c1-3-32(26(33)25-17-22-10-4-5-12-24(22)30-25)19-21-9-7-14-31(18-21)15-13-20-8-6-11-23(16-20)34-27(2,28)29;1-3-28(26(29)25-17-22-10-4-5-12-24(22)31-25)19-21-9-7-14-27(18-21)15-13-20-8-6-11-23(16-20)30-2;1-2-28(25(29)24-17-22-12-6-7-13-23(22)26-24)19-21-11-8-15-27(18-21)16-14-20-9-4-3-5-10-20;1-29-19-11-17(12-20(14-19)30-2)7-8-26-24(28)21-16-27(10-9-25-21)15-18-5-6-22(31-3)23(13-18)32-4;1-29-18-10-16(11-19(13-18)30-2)6-7-26-23(28)21-15-27(9-8-25-21)14-17-4-5-22(31-3)20(24)12-17;1-28-19-6-4-5-18(13-19)15-26-10-9-24-22(16-26)23(27)25-8-7-17-11-20(29-2)14-21(12-17)30-3;1-29-16-11-15(12-17(13-16)30-2)7-8-24-21(28)20-14-27(10-9-23-20)22-25-18-5-3-4-6-19(18)26-22/h4-6,8,10-12,16-17,21,30H,3,7,9,13-15,18-19H2,1-2H3;4-6,8,10-12,16-17,21H,3,7,9,13-15,18-19H2,1-2H3;3-7,9-10,12-13,17,21,26H,2,8,11,14-16,18-19H2,1H3;5-6,11-14,21,25H,7-10,15-16H2,1-4H3,(H,26,28);4-5,10-13,21,25H,6-9,14-15H2,1-3H3,(H,26,28);4-6,11-14,22,24H,7-10,15-16H2,1-3H3,(H,25,27);3-6,11-13,20,23H,7-10,14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyHHTGMDPFQJEZJQ-UHFFFAOYSA-N
XLogP22.42
TPSA450.75 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds59
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002977.73
LogP ≤ 522.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Analyze 4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-[2-[4-[1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazole-2-carbonyl]-1H-benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide
CID 67658594
N-[4-[2-(1H-benzimidazole-2-carbonyl)-4-[1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazole-2-carbonyl]piperidin-1-yl]-2-(3-methoxyphenyl)butyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 67658599
3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-[4-[4-[1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazole-2-carbonyl]-1H-benzimidazole-2-carbonyl]piperidin-1-yl]hexyl]benzamide
CID 70120565
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-[4-[4-[1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazole-2-carbonyl]-1H-benzimidazole-2-carbonyl]piperidin-1-yl]hexyl]benzamide
CID 70122523
N-[2-(3,4-dimethoxyphenyl)-4-[4-[4-[1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazole-2-carbonyl]-1H-benzimidazole-2-carbonyl]piperidin-1-yl]hexyl]-3,4,5-trimethoxybenzamide
CID 88156073
[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
CID 160646928
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 173110980
[3-[2-[4-[1H-benzimidazol-2-yl(furan-2-ylmethyl)amino]piperidin-1-yl]ethyl]-3-(3,4-difluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22009073
[3-[2-[4-[1H-benzimidazol-2-yl(furan-2-ylmethyl)amino]piperidin-1-yl]ethyl]-3-(3,4-difluorophenyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22009104
[3-[2-[4-[1H-benzimidazol-2-yl-[(5-methylfuran-2-yl)methyl]amino]piperidin-1-yl]ethyl]-3-(3,4-difluorophenyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22009267
3-[3-[4-[1H-benzimidazol-2-yl-[(5-methylfuran-2-yl)methyl]amino]piperidin-1-yl]propyl]-3-[(4-fluorophenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 22009392
3-[2-[4-[1H-benzimidazol-2-yl-[(5-methylfuran-2-yl)methyl]amino]piperidin-1-yl]ethyl]-3-[(4-fluorophenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 22009420

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide (CID 158483006) is 4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide is CCN(CC1CCCN(CCc2cccc(OC(C)(F)F)c2)C1)C(=O)c1cc2ccccc2[nH]1.CCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc2ccccc2o1.CCN(CC1CCCN(CCc2ccccc2)C1)C(=O)c1cc2ccccc2[nH]1.COc1cc(CCNC(=O)C2CN(Cc3ccc(OC)c(F)c3)CCN2)cc(OC)c1.COc1cc(CCNC(=O)C2CN(Cc3ccc(OC)c(OC)c3)CCN2)cc(OC)c1.COc1cc(CCNC(=O)C2CN(c3nc4ccccc4[nH]3)CCN2)cc(OC)c1.COc1cccc(CN2CCNC(C(=O)NCCc3cc(OC)cc(OC)c3)C2)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is HHTGMDPFQJEZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N3O2.C26H32N2O3.C25H31N3O.C24H33N3O5.C23H30FN3O4.C23H31N3O4.C22H27N5O3/c1-3-32(26(33)25-17-22-10-4-5-12-24(22)30-25)19-21-9-7-14-31(18-21)15-13-20-8-6-11-23(16-20)34-27(2,28)29;1-3-28(26(29)25-17-22-10-4-5-12-24(22)31-25)19-21-9-7-14-27(18-21)15-13-20-8-6-11-23(16-20)30-2;1-2-28(25(29)24-17-22-12-6-7-13-23(22)26-24)19-21-11-8-15-27(18-21)16-14-20-9-4-3-5-10-20;1-29-19-11-17(12-20(14-19)30-2)7-8-26-24(28)21-16-27(10-9-25-21)15-18-5-6-22(31-3)23(13-18)32-4;1-29-18-10-16(11-19(13-18)30-2)6-7-26-23(28)21-15-27(9-8-25-21)14-17-4-5-22(31-3)20(24)12-17;1-28-19-6-4-5-18(13-19)15-26-10-9-24-22(16-26)23(27)25-8-7-17-11-20(29-2)14-21(12-17)30-3;1-29-16-11-15(12-17(13-16)30-2)7-8-24-21(28)20-14-27(10-9-23-20)22-25-18-5-3-4-6-19(18)26-22/h4-6,8,10-12,16-17,21,30H,3,7,9,13-15,18-19H2,1-2H3;4-6,8,10-12,16-17,21H,3,7,9,13-15,18-19H2,1-2H3;3-7,9-10,12-13,17,21,26H,2,8,11,14-16,18-19H2,1H3;5-6,11-14,21,25H,7-10,15-16H2,1-4H3,(H,26,28);4-5,10-13,21,25H,6-9,14-15H2,1-3H3,(H,26,28);4-6,11-14,22,24H,7-10,15-16H2,1-3H3,(H,25,27);3-6,11-13,20,23H,7-10,14H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 2977.73 g/mol, XLogP of 22.42, 59 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperazine-2-carboxamide;N-[[1-[2-[3-(1,1-difluoroethoxy)phenyl]ethyl]piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide;N-[2-(3,5-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide;N-ethyl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158483006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).