1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one

C13H21N3O — CID 46343155

IUPAC1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESCCN1CCN(C(=O)CCn2cccc2)CC1
InChIInChI=1S/C13H21N3O/c1-2-14-9-11-16(12-10-14)13(17)5-8-15-6-3-4-7-15/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyQNPWHTTWVPIIJF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.04
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one

1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one (PubChem CID 46343155) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
PubChem CID46343155
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESCCN1CCN(C(=O)CCn2cccc2)CC1
InChIInChI=1S/C13H21N3O/c1-2-14-9-11-16(12-10-14)13(17)5-8-15-6-3-4-7-15/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyQNPWHTTWVPIIJF-UHFFFAOYSA-N
XLogP1.04
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one (CID 46343155) is 1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one is CCN1CCN(C(=O)CCn2cccc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The InChIKey is QNPWHTTWVPIIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-14-9-11-16(12-10-14)13(17)5-8-15-6-3-4-7-15/h3-4,6-7H,2,5,8-12H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 46343155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).