2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one

C22H24N4O2 — CID 35706085

IUPAC2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
SMILESCc1ccccc1CN1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C22H24N4O2/c1-17-6-2-3-8-19(17)15-24-10-12-25(13-11-24)21(27)16-26-22(28)20-9-5-4-7-18(20)14-23-26/h2-9,14H,10-13,15-16H2,1H3
InChIKeyPGZCRLMCIODCGG-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.05
Rot. Bonds4

About 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one

2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one (PubChem CID 35706085) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
PubChem CID35706085
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
SMILESCc1ccccc1CN1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C22H24N4O2/c1-17-6-2-3-8-19(17)15-24-10-12-25(13-11-24)21(27)16-26-22(28)20-9-5-4-7-18(20)14-23-26/h2-9,14H,10-13,15-16H2,1H3
InChIKeyPGZCRLMCIODCGG-UHFFFAOYSA-N
XLogP2.05
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phthalazin-1-one
CID 11245846
1-[2-(1-oxophthalazin-2-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168317
2-[2-[(4R)-4-ethylazepan-1-yl]-2-oxoethyl]phthalazin-1-one
CID 99481238
5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one
CID 20892013
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
2-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]phthalazin-1-one
CID 16674895
2-[2-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-oxoethyl]phthalazin-1-one
CID 95722112
3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70770021
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one
CID 37301489
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 111123249
1-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 32694378

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one?
The IUPAC name of 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one (CID 35706085) is 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one is Cc1ccccc1CN1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1.
What is the InChIKey of 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one?
The InChIKey is PGZCRLMCIODCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17-6-2-3-8-19(17)15-24-10-12-25(13-11-24)21(27)16-26-22(28)20-9-5-4-7-18(20)14-23-26/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one?
2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one has a molecular weight of 376.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one is sourced from PubChem (CID 35706085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).