1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone

C13H19N3O — CID 110697055

IUPAC1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone
SMILESCCN1CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C13H19N3O/c1-2-15-6-8-16(9-7-15)13(17)10-12-4-3-5-14-11-12/h3-5,11H,2,6-10H2,1H3
InChIKeyMRNDWZISAVABKW-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.79
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone

1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone (PubChem CID 110697055) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone
PubChem CID110697055
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone
SMILESCCN1CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C13H19N3O/c1-2-15-6-8-16(9-7-15)13(17)10-12-4-3-5-14-11-12/h3-5,11H,2,6-10H2,1H3
InChIKeyMRNDWZISAVABKW-UHFFFAOYSA-N
XLogP0.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.79
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)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone (CID 110697055) is 1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone is CCN1CCN(C(=O)Cc2cccnc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone?
The InChIKey is MRNDWZISAVABKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-15-6-8-16(9-7-15)13(17)10-12-4-3-5-14-11-12/h3-5,11H,2,6-10H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone?
1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone has a molecular weight of 233.31 g/mol, XLogP of 0.79, 3 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)-2-pyridin-3-ylethanone is sourced from PubChem (CID 110697055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).