1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one

C106H136Cl4N10O12S — CID 159187469

IUPAC1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one
SMILESCC(=O)c1cn(CCCN2CCC(CCOc3ccc(Cl)cc3)CC2)c2c(Cl)cccc12.CCC(=O)c1cn(CCCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2c(OC)cccc12.CCN(CC)C(=O)C1CCCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)C1.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(CCOc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C30H40ClN3O3.C26H30Cl2N2O2.C26H31ClN2O4S.C24H35N3O3/c1-22(2)20-32-30(35)27-21-34(29-26(27)6-4-7-28(29)36-3)16-5-15-33-17-12-23(13-18-33)14-19-37-25-10-8-24(31)9-11-25;1-19(31)24-18-30(26-23(24)4-2-5-25(26)28)14-3-13-29-15-10-20(11-16-29)12-17-32-22-8-6-21(27)7-9-22;1-3-24(30)23-18-29(26-22(23)6-4-7-25(26)33-2)15-5-14-28-16-12-21(13-17-28)34(31,32)20-10-8-19(27)9-11-20;1-5-26(6-2)24(29)19-10-8-13-25(16-19)14-9-15-27-17-21(18(3)28)20-11-7-12-22(30-4)23(20)27/h4,6-11,21-23H,5,12-20H2,1-3H3,(H,32,35);2,4-9,18,20H,3,10-17H2,1H3;4,6-11,18,21H,3,5,12-17H2,1-2H3;7,11-12,17,19H,5-6,8-10,13-16H2,1-4H3
InChIKeyKNRAKBQVGWJXRQ-UHFFFAOYSA-N
MW1916.19 g/mol
LogP22.03
Rot. Bonds39

About 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one

1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one (PubChem CID 159187469) has the molecular formula C106H136Cl4N10O12S and a molecular weight of 1916.19 g/mol. Its IUPAC name is 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one
PubChem CID159187469
Molecular FormulaC106H136Cl4N10O12S
Molecular Weight1916.19 g/mol
Exact Mass1912.88
IUPAC Name1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one
SMILESCC(=O)c1cn(CCCN2CCC(CCOc3ccc(Cl)cc3)CC2)c2c(Cl)cccc12.CCC(=O)c1cn(CCCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2c(OC)cccc12.CCN(CC)C(=O)C1CCCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)C1.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(CCOc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C30H40ClN3O3.C26H30Cl2N2O2.C26H31ClN2O4S.C24H35N3O3/c1-22(2)20-32-30(35)27-21-34(29-26(27)6-4-7-28(29)36-3)16-5-15-33-17-12-23(13-18-33)14-19-37-25-10-8-24(31)9-11-25;1-19(31)24-18-30(26-23(24)4-2-5-25(26)28)14-3-13-29-15-10-20(11-16-29)12-17-32-22-8-6-21(27)7-9-22;1-3-24(30)23-18-29(26-22(23)6-4-7-25(26)33-2)15-5-14-28-16-12-21(13-17-28)34(31,32)20-10-8-19(27)9-11-20;1-5-26(6-2)24(29)19-10-8-13-25(16-19)14-9-15-27-17-21(18(3)28)20-11-7-12-22(30-4)23(20)27/h4,6-11,21-23H,5,12-20H2,1-3H3,(H,32,35);2,4-9,18,20H,3,10-17H2,1H3;4,6-11,18,21H,3,5,12-17H2,1-2H3;7,11-12,17,19H,5-6,8-10,13-16H2,1-4H3
InChIKeyKNRAKBQVGWJXRQ-UHFFFAOYSA-N
XLogP22.03
TPSA213.59 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms133
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001916.19
LogP ≤ 522.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one?
The IUPAC name of 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one (CID 159187469) is 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one.
What is the SMILES notation for 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one?
The canonical SMILES for 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one is CC(=O)c1cn(CCCN2CCC(CCOc3ccc(Cl)cc3)CC2)c2c(Cl)cccc12.CCC(=O)c1cn(CCCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2c(OC)cccc12.CCN(CC)C(=O)C1CCCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)C1.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(CCOc4ccc(Cl)cc4)CC3)c12.
What is the InChIKey of 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one?
The InChIKey is KNRAKBQVGWJXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40ClN3O3.C26H30Cl2N2O2.C26H31ClN2O4S.C24H35N3O3/c1-22(2)20-32-30(35)27-21-34(29-26(27)6-4-7-28(29)36-3)16-5-15-33-17-12-23(13-18-33)14-19-37-25-10-8-24(31)9-11-25;1-19(31)24-18-30(26-23(24)4-2-5-25(26)28)14-3-13-29-15-10-20(11-16-29)12-17-32-22-8-6-21(27)7-9-22;1-3-24(30)23-18-29(26-22(23)6-4-7-25(26)33-2)15-5-14-28-16-12-21(13-17-28)34(31,32)20-10-8-19(27)9-11-20;1-5-26(6-2)24(29)19-10-8-13-25(16-19)14-9-15-27-17-21(18(3)28)20-11-7-12-22(30-4)23(20)27/h4,6-11,21-23H,5,12-20H2,1-3H3,(H,32,35);2,4-9,18,20H,3,10-17H2,1H3;4,6-11,18,21H,3,5,12-17H2,1-2H3;7,11-12,17,19H,5-6,8-10,13-16H2,1-4H3.
What are the key properties of 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one?
1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one has a molecular weight of 1916.19 g/mol, XLogP of 22.03, 39 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one is sourced from PubChem (CID 159187469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).