[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone

C33H43FN2O2 — CID 21313360

IUPAC[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc2c(c1)c(CCN1CCCCC1CCCC1CCCCC1)c(C)n2C(=O)c1ccc(F)cc1
InChIInChI=1S/C33H43FN2O2/c1-24-30(20-22-35-21-7-6-12-28(35)13-8-11-25-9-4-3-5-10-25)31-23-29(38-2)18-19-32(31)36(24)33(37)26-14-16-27(34)17-15-26/h14-19,23,25,28H,3-13,20-22H2,1-2H3
InChIKeyOLNMZEFMJSBNQX-UHFFFAOYSA-N
MW518.72 g/mol
LogP7.93
Rot. Bonds9

About [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone

[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone (PubChem CID 21313360) has the molecular formula C33H43FN2O2 and a molecular weight of 518.72 g/mol. Its IUPAC name is [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
PubChem CID21313360
Molecular FormulaC33H43FN2O2
Molecular Weight518.72 g/mol
Exact Mass518.33
IUPAC Name[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc2c(c1)c(CCN1CCCCC1CCCC1CCCCC1)c(C)n2C(=O)c1ccc(F)cc1
InChIInChI=1S/C33H43FN2O2/c1-24-30(20-22-35-21-7-6-12-28(35)13-8-11-25-9-4-3-5-10-25)31-23-29(38-2)18-19-32(31)36(24)33(37)26-14-16-27(34)17-15-26/h14-19,23,25,28H,3-13,20-22H2,1-2H3
InChIKeyOLNMZEFMJSBNQX-UHFFFAOYSA-N
XLogP7.93
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.72
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone (CID 21313360) is [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone is COc1ccc2c(c1)c(CCN1CCCCC1CCCC1CCCCC1)c(C)n2C(=O)c1ccc(F)cc1.
What is the InChIKey of [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is OLNMZEFMJSBNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43FN2O2/c1-24-30(20-22-35-21-7-6-12-28(35)13-8-11-25-9-4-3-5-10-25)31-23-29(38-2)18-19-32(31)36(24)33(37)26-14-16-27(34)17-15-26/h14-19,23,25,28H,3-13,20-22H2,1-2H3.
What are the key properties of [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone?
[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 518.72 g/mol, XLogP of 7.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 21313360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).