1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one

C120H136F4N12O11S — CID 159518272

IUPAC1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one
SMILESCCN(CC1CCCN(CCc2ccccc2OC)C1)C(=O)C1=Cc2ccccc2C1.COc1cc(C)cc(NC(=O)CCC2CCCN(Cc3ccc(F)c(OC)c3)C2)c1.COc1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc4ccccc4n32)cc1.Cc1ccccc1OCC(=O)CC1CCCN(c2ccc(C(F)(F)F)cn2)C1.Cc1ccccc1OCC(=O)CC1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C27H34N2O2.C26H24N4O2.C24H31FN2O3.C22H24N2O2S.C21H23F3N2O2/c1-3-29(27(30)25-17-23-11-4-5-12-24(23)18-25)20-21-9-8-15-28(19-21)16-14-22-10-6-7-13-26(22)31-2;1-16-8-4-5-9-20(16)28-25(31)23-17(2)27-26-29-21-10-6-7-11-22(21)30(26)24(23)18-12-14-19(32-3)15-13-18;1-17-11-20(14-21(12-17)29-2)26-24(28)9-7-18-5-4-10-27(15-18)16-19-6-8-22(25)23(13-19)30-3;1-16-7-2-4-10-20(16)26-15-18(25)13-17-8-6-12-24(14-17)22-23-19-9-3-5-11-21(19)27-22;1-15-5-2-3-7-19(15)28-14-18(27)11-16-6-4-10-26(13-16)20-9-8-17(12-25-20)21(22,23)24/h4-7,10-13,17,21H,3,8-9,14-16,18-20H2,1-2H3;4-15,24H,1-3H3,(H,27,29)(H,28,31);6,8,11-14,18H,4-5,7,9-10,15-16H2,1-3H3,(H,26,28);2-5,7,9-11,17H,6,8,12-15H2,1H3;2-3,5,7-9,12,16H,4,6,10-11,13-14H2,1H3
InChIKeyMBMCPUCQNMFAKV-UHFFFAOYSA-N
MW2030.54 g/mol
LogP24.02
Rot. Bonds32

About 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one

1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one (PubChem CID 159518272) has the molecular formula C120H136F4N12O11S and a molecular weight of 2030.54 g/mol. Its IUPAC name is 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one
PubChem CID159518272
Molecular FormulaC120H136F4N12O11S
Molecular Weight2030.54 g/mol
Exact Mass2029.01
IUPAC Name1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one
SMILESCCN(CC1CCCN(CCc2ccccc2OC)C1)C(=O)C1=Cc2ccccc2C1.COc1cc(C)cc(NC(=O)CCC2CCCN(Cc3ccc(F)c(OC)c3)C2)c1.COc1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc4ccccc4n32)cc1.Cc1ccccc1OCC(=O)CC1CCCN(c2ccc(C(F)(F)F)cn2)C1.Cc1ccccc1OCC(=O)CC1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C27H34N2O2.C26H24N4O2.C24H31FN2O3.C22H24N2O2S.C21H23F3N2O2/c1-3-29(27(30)25-17-23-11-4-5-12-24(23)18-25)20-21-9-8-15-28(19-21)16-14-22-10-6-7-13-26(22)31-2;1-16-8-4-5-9-20(16)28-25(31)23-17(2)27-26-29-21-10-6-7-11-22(21)30(26)24(23)18-12-14-19(32-3)15-13-18;1-17-11-20(14-21(12-17)29-2)26-24(28)9-7-18-5-4-10-27(15-18)16-19-6-8-22(25)23(13-19)30-3;1-16-7-2-4-10-20(16)26-15-18(25)13-17-8-6-12-24(14-17)22-23-19-9-3-5-11-21(19)27-22;1-15-5-2-3-7-19(15)28-14-18(27)11-16-6-4-10-26(13-16)20-9-8-17(12-25-20)21(22,23)24/h4-7,10-13,17,21H,3,8-9,14-16,18-20H2,1-2H3;4-15,24H,1-3H3,(H,27,29)(H,28,31);6,8,11-14,18H,4-5,7,9-10,15-16H2,1-3H3,(H,26,28);2-5,7,9-11,17H,6,8,12-15H2,1H3;2-3,5,7-9,12,16H,4,6,10-11,13-14H2,1H3
InChIKeyMBMCPUCQNMFAKV-UHFFFAOYSA-N
XLogP24.02
TPSA236.62 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002030.54
LogP ≤ 524.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one with MolForge

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Related Compounds

1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methoxyphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;1-(2-methoxyphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one
CID 157790372
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 157856951
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158744610
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 161999348

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one?
The IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one (CID 159518272) is 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one.
What is the SMILES notation for 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one?
The canonical SMILES for 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one is CCN(CC1CCCN(CCc2ccccc2OC)C1)C(=O)C1=Cc2ccccc2C1.COc1cc(C)cc(NC(=O)CCC2CCCN(Cc3ccc(F)c(OC)c3)C2)c1.COc1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc4ccccc4n32)cc1.Cc1ccccc1OCC(=O)CC1CCCN(c2ccc(C(F)(F)F)cn2)C1.Cc1ccccc1OCC(=O)CC1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one?
The InChIKey is MBMCPUCQNMFAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2.C26H24N4O2.C24H31FN2O3.C22H24N2O2S.C21H23F3N2O2/c1-3-29(27(30)25-17-23-11-4-5-12-24(23)18-25)20-21-9-8-15-28(19-21)16-14-22-10-6-7-13-26(22)31-2;1-16-8-4-5-9-20(16)28-25(31)23-17(2)27-26-29-21-10-6-7-11-22(21)30(26)24(23)18-12-14-19(32-3)15-13-18;1-17-11-20(14-21(12-17)29-2)26-24(28)9-7-18-5-4-10-27(15-18)16-19-6-8-22(25)23(13-19)30-3;1-16-7-2-4-10-20(16)26-15-18(25)13-17-8-6-12-24(14-17)22-23-19-9-3-5-11-21(19)27-22;1-15-5-2-3-7-19(15)28-14-18(27)11-16-6-4-10-26(13-16)20-9-8-17(12-25-20)21(22,23)24/h4-7,10-13,17,21H,3,8-9,14-16,18-20H2,1-2H3;4-15,24H,1-3H3,(H,27,29)(H,28,31);6,8,11-14,18H,4-5,7,9-10,15-16H2,1-3H3,(H,26,28);2-5,7,9-11,17H,6,8,12-15H2,1H3;2-3,5,7-9,12,16H,4,6,10-11,13-14H2,1H3.
What are the key properties of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one?
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one has a molecular weight of 2030.54 g/mol, XLogP of 24.02, 32 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(2-methylphenoxy)propan-2-one;N-ethyl-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indene-2-carboxamide;3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide;4-(4-methoxyphenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide;1-(2-methylphenoxy)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-2-one is sourced from PubChem (CID 159518272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).