1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide

C90H99Cl2N11O3S2 — CID 159493235

IUPAC1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.O=C(NCc1ccccc1Cl)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C31H31ClN4OS.C31H34ClN3O.C28H34N4OS/c32-24-12-10-22(11-13-24)20-33-30(37)26-21-36(28-8-3-1-6-25(26)28)17-5-16-35-18-14-23(15-19-35)31-34-27-7-2-4-9-29(27)38-31;32-29-13-6-4-11-26(29)22-33-31(36)28-23-35(30-14-7-5-12-27(28)30)18-8-17-34-19-15-25(16-20-34)21-24-9-2-1-3-10-24;1-20(2)18-29-27(33)23-19-32(25-10-5-3-8-22(23)25)15-7-14-31-16-12-21(13-17-31)28-30-24-9-4-6-11-26(24)34-28/h1-4,6-13,21,23H,5,14-20H2,(H,33,37);1-7,9-14,23,25H,8,15-22H2,(H,33,36);3-6,8-11,19-21H,7,12-18H2,1-2H3,(H,29,33)
InChIKeyLYLNNCUAQFDQAN-UHFFFAOYSA-N
MW1517.90 g/mol
LogP19.58
Rot. Bonds25

About 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide

1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide (PubChem CID 159493235) has the molecular formula C90H99Cl2N11O3S2 and a molecular weight of 1517.90 g/mol. Its IUPAC name is 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide
PubChem CID159493235
Molecular FormulaC90H99Cl2N11O3S2
Molecular Weight1517.90 g/mol
Exact Mass1515.68
IUPAC Name1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.O=C(NCc1ccccc1Cl)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C31H31ClN4OS.C31H34ClN3O.C28H34N4OS/c32-24-12-10-22(11-13-24)20-33-30(37)26-21-36(28-8-3-1-6-25(26)28)17-5-16-35-18-14-23(15-19-35)31-34-27-7-2-4-9-29(27)38-31;32-29-13-6-4-11-26(29)22-33-31(36)28-23-35(30-14-7-5-12-27(28)30)18-8-17-34-19-15-25(16-20-34)21-24-9-2-1-3-10-24;1-20(2)18-29-27(33)23-19-32(25-10-5-3-8-22(23)25)15-7-14-31-16-12-21(13-17-31)28-30-24-9-4-6-11-26(24)34-28/h1-4,6-13,21,23H,5,14-20H2,(H,33,37);1-7,9-14,23,25H,8,15-22H2,(H,33,36);3-6,8-11,19-21H,7,12-18H2,1-2H3,(H,29,33)
InChIKeyLYLNNCUAQFDQAN-UHFFFAOYSA-N
XLogP19.58
TPSA137.59 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001517.90
LogP ≤ 519.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide with MolForge

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Related Compounds

1-[1-[3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 159698980
1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide
CID 58967583
1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide
CID 58967709
1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 58968307
bis((5Z)-3-(1,3-benzothiazol-6-yl)-5-[2-(1H-indol-3-yl)-2-oxoethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(5Z)-5-[2-(5-chloro-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[2-(1H-indol-3-yl)-2-oxoethylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 157569807
N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide
CID 158033019
1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide
CID 158035459
N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide
CID 158374131
bis((5Z)-3-(1,3-benzothiazol-6-yl)-5-[2-(1H-indol-3-yl)-2-oxoethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(5Z)-5-[2-(5-chloro-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[2-(1H-indol-3-yl)-2-oxoethylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one;methane
CID 158380964
N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide
CID 158542153
6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 158571936
1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide
CID 158654604

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide?
The IUPAC name of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide (CID 159493235) is 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide is CC(C)CNC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.O=C(NCc1ccccc1Cl)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.
What is the InChIKey of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide?
The InChIKey is LYLNNCUAQFDQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClN4OS.C31H34ClN3O.C28H34N4OS/c32-24-12-10-22(11-13-24)20-33-30(37)26-21-36(28-8-3-1-6-25(26)28)17-5-16-35-18-14-23(15-19-35)31-34-27-7-2-4-9-29(27)38-31;32-29-13-6-4-11-26(29)22-33-31(36)28-23-35(30-14-7-5-12-27(28)30)18-8-17-34-19-15-25(16-20-34)21-24-9-2-1-3-10-24;1-20(2)18-29-27(33)23-19-32(25-10-5-3-8-22(23)25)15-7-14-31-16-12-21(13-17-31)28-30-24-9-4-6-11-26(24)34-28/h1-4,6-13,21,23H,5,14-20H2,(H,33,37);1-7,9-14,23,25H,8,15-22H2,(H,33,36);3-6,8-11,19-21H,7,12-18H2,1-2H3,(H,29,33).
What are the key properties of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide?
1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide has a molecular weight of 1517.90 g/mol, XLogP of 19.58, 25 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 159493235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).