1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone

C26H30N2O3 — CID 23641667

IUPAC1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H30N2O3/c1-19(29)24-18-28(25-10-9-22(31-2)17-23(24)25)14-6-13-27-15-11-21(12-16-27)26(30)20-7-4-3-5-8-20/h3-5,7-10,17-18,21H,6,11-16H2,1-2H3
InChIKeyLWVFZPKTOOITPS-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.84
Rot. Bonds8

About 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone (PubChem CID 23641667) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone
PubChem CID23641667
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H30N2O3/c1-19(29)24-18-28(25-10-9-22(31-2)17-23(24)25)14-6-13-27-15-11-21(12-16-27)26(30)20-7-4-3-5-8-20/h3-5,7-10,17-18,21H,6,11-16H2,1-2H3
InChIKeyLWVFZPKTOOITPS-UHFFFAOYSA-N
XLogP4.84
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone (CID 23641667) is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone is COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone?
The InChIKey is LWVFZPKTOOITPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-19(29)24-18-28(25-10-9-22(31-2)17-23(24)25)14-6-13-27-15-11-21(12-16-27)26(30)20-7-4-3-5-8-20/h3-5,7-10,17-18,21H,6,11-16H2,1-2H3.
What are the key properties of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone?
1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone has a molecular weight of 418.54 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 23641667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).