[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone

C63H67FN4O6 — CID 159330208

IUPAC[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3C4CCC3CC(Oc3ccc(F)cc3)C4)c12.COc1ccccc1C1CCN(CCCn2cc(C(=O)c3ccccc3)c3cccc(OC)c32)CC1
InChIInChI=1S/C32H33FN2O3.C31H34N2O3/c1-37-30-10-5-9-28-29(32(36)22-7-3-2-4-8-22)21-34(31(28)30)17-6-18-35-24-13-14-25(35)20-27(19-24)38-26-15-11-23(33)12-16-26;1-35-28-14-7-6-12-25(28)23-16-20-32(21-17-23)18-9-19-33-22-27(31(34)24-10-4-3-5-11-24)26-13-8-15-29(36-2)30(26)33/h2-5,7-12,15-16,21,24-25,27H,6,13-14,17-20H2,1H3;3-8,10-15,22-23H,9,16-21H2,1-2H3
InChIKeyLEWMZSHSITUNHA-UHFFFAOYSA-N
MW995.25 g/mol
LogP12.64
Rot. Bonds18

About [1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone

[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone (PubChem CID 159330208) has the molecular formula C63H67FN4O6 and a molecular weight of 995.25 g/mol. Its IUPAC name is [1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone
PubChem CID159330208
Molecular FormulaC63H67FN4O6
Molecular Weight995.25 g/mol
Exact Mass994.50
IUPAC Name[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3C4CCC3CC(Oc3ccc(F)cc3)C4)c12.COc1ccccc1C1CCN(CCCn2cc(C(=O)c3ccccc3)c3cccc(OC)c32)CC1
InChIInChI=1S/C32H33FN2O3.C31H34N2O3/c1-37-30-10-5-9-28-29(32(36)22-7-3-2-4-8-22)21-34(31(28)30)17-6-18-35-24-13-14-25(35)20-27(19-24)38-26-15-11-23(33)12-16-26;1-35-28-14-7-6-12-25(28)23-16-20-32(21-17-23)18-9-19-33-22-27(31(34)24-10-4-3-5-11-24)26-13-8-15-29(36-2)30(26)33/h2-5,7-12,15-16,21,24-25,27H,6,13-14,17-20H2,1H3;3-8,10-15,22-23H,9,16-21H2,1-2H3
InChIKeyLEWMZSHSITUNHA-UHFFFAOYSA-N
XLogP12.64
TPSA87.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.25
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone?
The IUPAC name of [1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone (CID 159330208) is [1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone?
The canonical SMILES for [1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone is COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3C4CCC3CC(Oc3ccc(F)cc3)C4)c12.COc1ccccc1C1CCN(CCCn2cc(C(=O)c3ccccc3)c3cccc(OC)c32)CC1.
What is the InChIKey of [1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone?
The InChIKey is LEWMZSHSITUNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN2O3.C31H34N2O3/c1-37-30-10-5-9-28-29(32(36)22-7-3-2-4-8-22)21-34(31(28)30)17-6-18-35-24-13-14-25(35)20-27(19-24)38-26-15-11-23(33)12-16-26;1-35-28-14-7-6-12-25(28)23-16-20-32(21-17-23)18-9-19-33-22-27(31(34)24-10-4-3-5-11-24)26-13-8-15-29(36-2)30(26)33/h2-5,7-12,15-16,21,24-25,27H,6,13-14,17-20H2,1H3;3-8,10-15,22-23H,9,16-21H2,1-2H3.
What are the key properties of [1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone?
[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone has a molecular weight of 995.25 g/mol, XLogP of 12.64, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-phenylmethanone is sourced from PubChem (CID 159330208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).