4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one

C20H20N4O3 — CID 2557287

IUPAC4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
SMILESCOc1ccccc1N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1
InChIInChI=1S/C20H20N4O3/c1-27-17-9-5-4-8-16(17)23-10-12-24(13-11-23)20(26)18-14-6-2-3-7-15(14)19(25)22-21-18/h2-9H,10-13H2,1H3,(H,22,25)
InChIKeyMQEIAWOWUNEYMM-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.89
Rot. Bonds3

About 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one

4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one (PubChem CID 2557287) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
PubChem CID2557287
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
SMILESCOc1ccccc1N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1
InChIInChI=1S/C20H20N4O3/c1-27-17-9-5-4-8-16(17)23-10-12-24(13-11-23)20(26)18-14-6-2-3-7-15(14)19(25)22-21-18/h2-9H,10-13H2,1H3,(H,22,25)
InChIKeyMQEIAWOWUNEYMM-UHFFFAOYSA-N
XLogP1.89
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2118213
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 26912236
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 4826323
4-(4-oxopiperidine-1-carbonyl)-2H-phthalazin-1-one
CID 71564575
4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2482453
4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 18138912
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone
CID 26912380
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854273

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one (CID 2557287) is 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one is COc1ccccc1N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The InChIKey is MQEIAWOWUNEYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-17-9-5-4-8-16(17)23-10-12-24(13-11-23)20(26)18-14-6-2-3-7-15(14)19(25)22-21-18/h2-9H,10-13H2,1H3,(H,22,25).
What are the key properties of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one has a molecular weight of 364.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one is sourced from PubChem (CID 2557287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).