3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one

C23H21FN2O3 — CID 1263038

IUPAC3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one
SMILESC=CCc1cccc2cc(C(=O)N3CCN(c4ccccc4F)CC3)c(=O)oc12
InChIInChI=1S/C23H21FN2O3/c1-2-6-16-7-5-8-17-15-18(23(28)29-21(16)17)22(27)26-13-11-25(12-14-26)20-10-4-3-9-19(20)24/h2-5,7-10,15H,1,6,11-14H2
InChIKeyKHFCATKNDXSCDO-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.62
Rot. Bonds4

About 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one (PubChem CID 1263038) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one
PubChem CID1263038
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one
SMILESC=CCc1cccc2cc(C(=O)N3CCN(c4ccccc4F)CC3)c(=O)oc12
InChIInChI=1S/C23H21FN2O3/c1-2-6-16-7-5-8-17-15-18(23(28)29-21(16)17)22(27)26-13-11-25(12-14-26)20-10-4-3-9-19(20)24/h2-5,7-10,15H,1,6,11-14H2
InChIKeyKHFCATKNDXSCDO-UHFFFAOYSA-N
XLogP3.62
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724196
N-(4-fluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 694612
2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 341782
6-methyl-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 10423722
N-(2,4-Difluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599317
N-(3-fluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 748372
N-(2-Benzylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 8438344
N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]-2-oxo-2H-chromene-3-carboxamide
CID 11634931
2,2,2-trifluoroacetic acid; 2-oxo-N-[5-phenyl-2-(piperazin-1-yl)phenyl]-2H-chromene-3-carboxamide
CID 11699482
N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-2-oxo-2H-chromene-3-carboxamide (9o)
CID 122164700
3-(4-phenylpiperazine-1-carbonyl)-2H-chromen-2-one
CID 709819
N-Methyl-N-phenyl-2-oxo-2H-chromene-3-carboxamide
CID 16376796

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one (CID 1263038) is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one is C=CCc1cccc2cc(C(=O)N3CCN(c4ccccc4F)CC3)c(=O)oc12.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one?
The InChIKey is KHFCATKNDXSCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-2-6-16-7-5-8-17-15-18(23(28)29-21(16)17)22(27)26-13-11-25(12-14-26)20-10-4-3-9-19(20)24/h2-5,7-10,15H,1,6,11-14H2.
What are the key properties of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one?
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one has a molecular weight of 392.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one is sourced from PubChem (CID 1263038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).