ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate

C17H24N2O2 — CID 68856257

IUPACethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)CC1CCc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C17H24N2O2/c1-2-21-17(20)12-14-4-3-13-11-15(5-6-16(13)14)19-9-7-18-8-10-19/h5-6,11,14,18H,2-4,7-10,12H2,1H3
InChIKeyLPTPFACBGXAMCQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.08
Rot. Bonds4

About ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate

ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 68856257) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID68856257
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)CC1CCc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C17H24N2O2/c1-2-21-17(20)12-14-4-3-13-11-15(5-6-16(13)14)19-9-7-18-8-10-19/h5-6,11,14,18H,2-4,7-10,12H2,1H3
InChIKeyLPTPFACBGXAMCQ-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate (CID 68856257) is ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate is CCOC(=O)CC1CCc2cc(N3CCNCC3)ccc21.
What is the InChIKey of ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is LPTPFACBGXAMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-21-17(20)12-14-4-3-13-11-15(5-6-16(13)14)19-9-7-18-8-10-19/h5-6,11,14,18H,2-4,7-10,12H2,1H3.
What are the key properties of ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate?
ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 288.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 68856257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).