2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one

C24H29NO3 — CID 70686138

IUPAC2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OCCN1CCCCC1)C(=O)C(Cc1ccccc1)C2
InChIInChI=1S/C24H29NO3/c1-27-22-16-19-15-20(14-18-8-4-2-5-9-18)24(26)21(19)17-23(22)28-13-12-25-10-6-3-7-11-25/h2,4-5,8-9,16-17,20H,3,6-7,10-15H2,1H3
InChIKeyOFTNVZBGWRGEGC-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.16
Rot. Bonds7

About 2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one

2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one (PubChem CID 70686138) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one
PubChem CID70686138
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OCCN1CCCCC1)C(=O)C(Cc1ccccc1)C2
InChIInChI=1S/C24H29NO3/c1-27-22-16-19-15-20(14-18-8-4-2-5-9-18)24(26)21(19)17-23(22)28-13-12-25-10-6-3-7-11-25/h2,4-5,8-9,16-17,20H,3,6-7,10-15H2,1H3
InChIKeyOFTNVZBGWRGEGC-UHFFFAOYSA-N
XLogP4.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one (CID 70686138) is 2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one is COc1cc2c(cc1OCCN1CCCCC1)C(=O)C(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one?
The InChIKey is OFTNVZBGWRGEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-27-22-16-19-15-20(14-18-8-4-2-5-9-18)24(26)21(19)17-23(22)28-13-12-25-10-6-3-7-11-25/h2,4-5,8-9,16-17,20H,3,6-7,10-15H2,1H3.
What are the key properties of 2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one?
2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one has a molecular weight of 379.50 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 70686138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).