2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one

C15H20N4O — CID 18132974

IUPAC2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one
SMILESCCN1CCN(Cn2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C15H20N4O/c1-2-17-7-9-18(10-8-17)12-19-15(20)14-6-4-3-5-13(14)11-16-19/h3-6,11H,2,7-10,12H2,1H3
InChIKeyFSIZWKSDJQGHCK-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.99
Rot. Bonds3

About 2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one

2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one (PubChem CID 18132974) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one
PubChem CID18132974
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one
SMILESCCN1CCN(Cn2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C15H20N4O/c1-2-17-7-9-18(10-8-17)12-19-15(20)14-6-4-3-5-13(14)11-16-19/h3-6,11H,2,7-10,12H2,1H3
InChIKeyFSIZWKSDJQGHCK-UHFFFAOYSA-N
XLogP0.99
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one?
The IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one (CID 18132974) is 2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one.
What is the SMILES notation for 2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one?
The canonical SMILES for 2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one is CCN1CCN(Cn2ncc3ccccc3c2=O)CC1.
What is the InChIKey of 2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one?
The InChIKey is FSIZWKSDJQGHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-17-7-9-18(10-8-17)12-19-15(20)14-6-4-3-5-13(14)11-16-19/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of 2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one?
2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one has a molecular weight of 272.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one is sourced from PubChem (CID 18132974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).