2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one

C20H17FN2O3 — CID 9081959

IUPAC2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H17FN2O3/c21-14-5-7-15(8-6-14)22-9-11-23(12-10-22)20(25)19-13-17(24)16-3-1-2-4-18(16)26-19/h1-8,13H,9-12H2
InChIKeyHHPTXAINHBFDFR-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.89
Rot. Bonds2

About 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one

2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one (PubChem CID 9081959) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one
PubChem CID9081959
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H17FN2O3/c21-14-5-7-15(8-6-14)22-9-11-23(12-10-22)20(25)19-13-17(24)16-3-1-2-4-18(16)26-19/h1-8,13H,9-12H2
InChIKeyHHPTXAINHBFDFR-UHFFFAOYSA-N
XLogP2.89
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
CID 122334648
2-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]chromen-4-one
CID 55620728
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
CID 91817838
2-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]chromen-4-one
CID 30858076
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
CID 45284358
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one
CID 27563251
6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one
CID 4870327
2-[4-(2-methylpropylsulfonyl)piperidine-1-carbonyl]chromen-4-one
CID 90590040
2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one
CID 9496445

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one (CID 9081959) is 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one?
The InChIKey is HHPTXAINHBFDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-14-5-7-15(8-6-14)22-9-11-23(12-10-22)20(25)19-13-17(24)16-3-1-2-4-18(16)26-19/h1-8,13H,9-12H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one?
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one has a molecular weight of 352.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 9081959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).