1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone

C20H20N4O — CID 2953198

IUPAC1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C20H20N4O/c1-15(25)23-11-13-24(14-12-23)20-18-10-6-5-9-17(18)19(21-22-20)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyUUIBULQVFCMBIS-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.97
Rot. Bonds2

About 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone

1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone (PubChem CID 2953198) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
PubChem CID2953198
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C20H20N4O/c1-15(25)23-11-13-24(14-12-23)20-18-10-6-5-9-17(18)19(21-22-20)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyUUIBULQVFCMBIS-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone (CID 2953198) is 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
The InChIKey is UUIBULQVFCMBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15(25)23-11-13-24(14-12-23)20-18-10-6-5-9-17(18)19(21-22-20)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3.
What are the key properties of 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone has a molecular weight of 332.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2953198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).