1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone

C98H106Br4Cl3N11O8 — CID 158857888

IUPAC1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(CCCN2CCC(Oc3cccc(Cl)c3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(Oc3cccc(Cl)c3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(c3nc(-c4ccncc4)no3)CC2)c2c(Br)cccc12
InChIInChI=1S/C25H28BrClN2O2.C25H26BrN5O2.2C24H26BrClN2O2/c1-17-24(18(2)30)22-8-4-9-23(26)25(22)29(17)13-5-12-28-14-10-20(11-15-28)31-21-7-3-6-19(27)16-21;1-17(32)21-16-31(23-20(21)4-2-5-22(23)26)13-3-12-30-14-8-19(9-15-30)25-28-24(29-33-25)18-6-10-27-11-7-18;1-17(29)22-16-28(24-21(22)7-3-8-23(24)25)12-4-11-27-13-9-19(10-14-27)30-20-6-2-5-18(26)15-20;1-17(29)22-16-28(24-21(22)4-2-5-23(24)25)13-3-12-27-14-10-20(11-15-27)30-19-8-6-18(26)7-9-19/h3-4,6-9,16,20H,5,10-15H2,1-2H3;2,4-7,10-11,16,19H,3,8-9,12-15H2,1H3;2-3,5-8,15-16,19H,4,9-14H2,1H3;2,4-9,16,20H,3,10-15H2,1H3
InChIKeyJAHCDAMMRJHDNW-UHFFFAOYSA-N
MW1991.97 g/mol
LogP24.21
Rot. Bonds28

About 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone

1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 158857888) has the molecular formula C98H106Br4Cl3N11O8 and a molecular weight of 1991.97 g/mol. Its IUPAC name is 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
PubChem CID158857888
Molecular FormulaC98H106Br4Cl3N11O8
Molecular Weight1991.97 g/mol
Exact Mass1985.40
IUPAC Name1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(CCCN2CCC(Oc3cccc(Cl)c3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(Oc3cccc(Cl)c3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(c3nc(-c4ccncc4)no3)CC2)c2c(Br)cccc12
InChIInChI=1S/C25H28BrClN2O2.C25H26BrN5O2.2C24H26BrClN2O2/c1-17-24(18(2)30)22-8-4-9-23(26)25(22)29(17)13-5-12-28-14-10-20(11-15-28)31-21-7-3-6-19(27)16-21;1-17(32)21-16-31(23-20(21)4-2-5-22(23)26)13-3-12-30-14-8-19(9-15-30)25-28-24(29-33-25)18-6-10-27-11-7-18;1-17(29)22-16-28(24-21(22)7-3-8-23(24)25)12-4-11-27-13-9-19(10-14-27)30-20-6-2-5-18(26)15-20;1-17(29)22-16-28(24-21(22)4-2-5-23(24)25)13-3-12-27-14-10-20(11-15-27)30-19-8-6-18(26)7-9-19/h3-4,6-9,16,20H,5,10-15H2,1-2H3;2,4-7,10-11,16,19H,3,8-9,12-15H2,1H3;2-3,5-8,15-16,19H,4,9-14H2,1H3;2,4-9,16,20H,3,10-15H2,1H3
InChIKeyJAHCDAMMRJHDNW-UHFFFAOYSA-N
XLogP24.21
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001991.97
LogP ≤ 524.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?
The IUPAC name of 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (CID 158857888) is 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is CC(=O)c1c(C)n(CCCN2CCC(Oc3cccc(Cl)c3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(Oc3cccc(Cl)c3)CC2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCC(c3nc(-c4ccncc4)no3)CC2)c2c(Br)cccc12.
What is the InChIKey of 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?
The InChIKey is JAHCDAMMRJHDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrClN2O2.C25H26BrN5O2.2C24H26BrClN2O2/c1-17-24(18(2)30)22-8-4-9-23(26)25(22)29(17)13-5-12-28-14-10-20(11-15-28)31-21-7-3-6-19(27)16-21;1-17(32)21-16-31(23-20(21)4-2-5-22(23)26)13-3-12-30-14-8-19(9-15-30)25-28-24(29-33-25)18-6-10-27-11-7-18;1-17(29)22-16-28(24-21(22)7-3-8-23(24)25)12-4-11-27-13-9-19(10-14-27)30-20-6-2-5-18(26)15-20;1-17(29)22-16-28(24-21(22)4-2-5-23(24)25)13-3-12-27-14-10-20(11-15-27)30-19-8-6-18(26)7-9-19/h3-4,6-9,16,20H,5,10-15H2,1-2H3;2,4-7,10-11,16,19H,3,8-9,12-15H2,1H3;2-3,5-8,15-16,19H,4,9-14H2,1H3;2,4-9,16,20H,3,10-15H2,1H3.
What are the key properties of 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?
1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 1991.97 g/mol, XLogP of 24.21, 28 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 158857888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).