4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one

C19H18N4O2 — CID 3236275

IUPAC4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H18N4O2/c24-18-16-9-5-4-8-15(16)17(20-21-18)19(25)23-12-10-22(11-13-23)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,24)
InChIKeyVOCACSIBMGPWHJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.89
Rot. Bonds2

About 4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one

4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one (PubChem CID 3236275) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one
PubChem CID3236275
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H18N4O2/c24-18-16-9-5-4-8-15(16)17(20-21-18)19(25)23-12-10-22(11-13-23)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,24)
InChIKeyVOCACSIBMGPWHJ-UHFFFAOYSA-N
XLogP1.89
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-arylphthalazin-1(2H)-3,4-Di-F
CID 56835134
4-({3-[(4-Methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133630
4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612
4-({3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25218483
3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 970816
N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
4-(anilinomethyl)-1(2H)-phthalazinone
CID 1482294
4-[3-Nitro-4-(piperidin-1-yl)phenyl]-1,2-dihydrophthalazin-1-one
CID 2797516
4-({3-[(4-Phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133279
4-({4-Fluoro-3-[(4-phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133280
4-({3-[(4-Benzoylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133281

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one (CID 3236275) is 4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one is O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one?
The InChIKey is VOCACSIBMGPWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18-16-9-5-4-8-15(16)17(20-21-18)19(25)23-12-10-22(11-13-23)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,24).
What are the key properties of 4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one?
4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one has a molecular weight of 334.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazine-1-carbonyl)-2H-phthalazin-1-one is sourced from PubChem (CID 3236275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).