6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one

C17H24N2O2 — CID 69202913

IUPAC6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
SMILESCOCCN1CCN(Cc2ccc3c(c2)C(=O)CC3)CC1
InChIInChI=1S/C17H24N2O2/c1-21-11-10-18-6-8-19(9-7-18)13-14-2-3-15-4-5-17(20)16(15)12-14/h2-3,12H,4-11,13H2,1H3
InChIKeyRWSYXZYMKIPGGC-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.58
Rot. Bonds5

About 6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one

6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one (PubChem CID 69202913) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
PubChem CID69202913
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
SMILESCOCCN1CCN(Cc2ccc3c(c2)C(=O)CC3)CC1
InChIInChI=1S/C17H24N2O2/c1-21-11-10-18-6-8-19(9-7-18)13-14-2-3-15-4-5-17(20)16(15)12-14/h2-3,12H,4-11,13H2,1H3
InChIKeyRWSYXZYMKIPGGC-UHFFFAOYSA-N
XLogP1.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one (CID 69202913) is 6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one is COCCN1CCN(Cc2ccc3c(c2)C(=O)CC3)CC1.
What is the InChIKey of 6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one?
The InChIKey is RWSYXZYMKIPGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-11-10-18-6-8-19(9-7-18)13-14-2-3-15-4-5-17(20)16(15)12-14/h2-3,12H,4-11,13H2,1H3.
What are the key properties of 6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one?
6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 69202913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).