2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one

C21H21FN4O2 — CID 11428942

IUPAC2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one
SMILESO=C(CCn1ncc2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4O2/c22-17-5-7-18(8-6-17)24-11-13-25(14-12-24)20(27)9-10-26-21(28)19-4-2-1-3-16(19)15-23-26/h1-8,15H,9-14H2
InChIKeyAZTVBFRLQFCNMC-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.27
Rot. Bonds4

About 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one

2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one (PubChem CID 11428942) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one
PubChem CID11428942
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one
SMILESO=C(CCn1ncc2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4O2/c22-17-5-7-18(8-6-17)24-11-13-25(14-12-24)20(27)9-10-26-21(28)19-4-2-1-3-16(19)15-23-26/h1-8,15H,9-14H2
InChIKeyAZTVBFRLQFCNMC-UHFFFAOYSA-N
XLogP2.27
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.27
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-(4-fluorophenyl)-6-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16882521
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 2302169
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 91960231
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 7376508
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride
CID 22150162
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
5-(1-oxophthalazin-2-yl)pentanoic acid
CID 28971824
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-isoquinolin-4-yl-2-methylpropanoate
CID 166201596
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16882720

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one?
The IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one (CID 11428942) is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one.
What is the SMILES notation for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one?
The canonical SMILES for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one is O=C(CCn1ncc2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one?
The InChIKey is AZTVBFRLQFCNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-5-7-18(8-6-17)24-11-13-25(14-12-24)20(27)9-10-26-21(28)19-4-2-1-3-16(19)15-23-26/h1-8,15H,9-14H2.
What are the key properties of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one?
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one has a molecular weight of 380.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one is sourced from PubChem (CID 11428942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).