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

C20H22N4O — CID 60526741

IUPAC2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one
SMILESCN1CCN(Cn2ncc3ccccc3c2=O)C(c2ccccc2)C1
InChIInChI=1S/C20H22N4O/c1-22-11-12-23(19(14-22)16-7-3-2-4-8-16)15-24-20(25)18-10-6-5-9-17(18)13-21-24/h2-10,13,19H,11-12,14-15H2,1H3
InChIKeyDBLYNZCHAWVKCW-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.34
Rot. Bonds3

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

2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one (PubChem CID 60526741) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one
PubChem CID60526741
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one
SMILESCN1CCN(Cn2ncc3ccccc3c2=O)C(c2ccccc2)C1
InChIInChI=1S/C20H22N4O/c1-22-11-12-23(19(14-22)16-7-3-2-4-8-16)15-24-20(25)18-10-6-5-9-17(18)13-21-24/h2-10,13,19H,11-12,14-15H2,1H3
InChIKeyDBLYNZCHAWVKCW-UHFFFAOYSA-N
XLogP2.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one?
The IUPAC name of 2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one (CID 60526741) is 2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one.
What is the SMILES notation for 2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one?
The canonical SMILES for 2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one is CN1CCN(Cn2ncc3ccccc3c2=O)C(c2ccccc2)C1.
What is the InChIKey of 2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one?
The InChIKey is DBLYNZCHAWVKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-22-11-12-23(19(14-22)16-7-3-2-4-8-16)15-24-20(25)18-10-6-5-9-17(18)13-21-24/h2-10,13,19H,11-12,14-15H2,1H3.
What are the key properties of 2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one?
2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one has a molecular weight of 334.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one is sourced from PubChem (CID 60526741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).