4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one

C22H24N4O2 — CID 2598398

IUPAC4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
SMILESCC(C)n1nc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O2/c1-16(2)26-21(27)19-11-7-6-10-18(19)20(23-26)22(28)25-14-12-24(13-15-25)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyCNTDFVFIXKROCR-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.94
Rot. Bonds3

About 4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one

4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one (PubChem CID 2598398) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
PubChem CID2598398
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
SMILESCC(C)n1nc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O2/c1-16(2)26-21(27)19-11-7-6-10-18(19)20(23-26)22(28)25-14-12-24(13-15-25)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyCNTDFVFIXKROCR-UHFFFAOYSA-N
XLogP2.94
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-arylphthalazin-1(2H)-3,4-Di-F
CID 56835134
1(2H)-Phthalazinone, 2,4-diphenyl-
CID 676336
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
4-Methyl-2-phenyl-2H-phthalazin-1-one
CID 245552
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
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-difluoro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145955549
4-[[3,4-difluoro-5-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145960349
4-[[3,4-difluoro-5-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 145962718
4-[[3,4-difluoro-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145972651

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one (CID 2598398) is 4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one is CC(C)n1nc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O.
What is the InChIKey of 4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The InChIKey is CNTDFVFIXKROCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(2)26-21(27)19-11-7-6-10-18(19)20(23-26)22(28)25-14-12-24(13-15-25)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one has a molecular weight of 376.46 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 2598398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).