[6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C26H32N2O5 — CID 10343852

IUPAC[6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(CCN3CCCCC3)c2c1
InChIInChI=1S/C26H32N2O5/c1-30-19-8-9-20-21(17-28(22(20)16-19)13-12-27-10-6-5-7-11-27)25(29)18-14-23(31-2)26(33-4)24(15-18)32-3/h8-9,14-17H,5-7,10-13H2,1-4H3
InChIKeyLSDSOAJNAQEKPI-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.39
Rot. Bonds9

About [6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10343852) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is [6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10343852
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name[6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(CCN3CCCCC3)c2c1
InChIInChI=1S/C26H32N2O5/c1-30-19-8-9-20-21(17-28(22(20)16-19)13-12-27-10-6-5-7-11-27)25(29)18-14-23(31-2)26(33-4)24(15-18)32-3/h8-9,14-17H,5-7,10-13H2,1-4H3
InChIKeyLSDSOAJNAQEKPI-UHFFFAOYSA-N
XLogP4.39
TPSA62.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 10343852) is [6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(CCN3CCCCC3)c2c1.
What is the InChIKey of [6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LSDSOAJNAQEKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-30-19-8-9-20-21(17-28(22(20)16-19)13-12-27-10-6-5-7-11-27)25(29)18-14-23(31-2)26(33-4)24(15-18)32-3/h8-9,14-17H,5-7,10-13H2,1-4H3.
What are the key properties of [6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 452.55 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10343852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).