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

C16H22N2O — CID 69232295

IUPAC6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESCCN1CCN(Cc2ccc3c(c2)C(=O)CC3)CC1
InChIInChI=1S/C16H22N2O/c1-2-17-7-9-18(10-8-17)12-13-3-4-14-5-6-16(19)15(14)11-13/h3-4,11H,2,5-10,12H2,1H3
InChIKeyQKHGGXSQPBTLFG-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.95
Rot. Bonds3

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

6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one (PubChem CID 69232295) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
PubChem CID69232295
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESCCN1CCN(Cc2ccc3c(c2)C(=O)CC3)CC1
InChIInChI=1S/C16H22N2O/c1-2-17-7-9-18(10-8-17)12-13-3-4-14-5-6-16(19)15(14)11-13/h3-4,11H,2,5-10,12H2,1H3
InChIKeyQKHGGXSQPBTLFG-UHFFFAOYSA-N
XLogP1.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one (CID 69232295) is 6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one is CCN1CCN(Cc2ccc3c(c2)C(=O)CC3)CC1.
What is the InChIKey of 6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The InChIKey is QKHGGXSQPBTLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-17-7-9-18(10-8-17)12-13-3-4-14-5-6-16(19)15(14)11-13/h3-4,11H,2,5-10,12H2,1H3.
What are the key properties of 6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one has a molecular weight of 258.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 69232295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).