[4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite

C26H24F3N3O3 — CID 145374892

IUPAC[4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite
SMILESNCCc1cc(F)cc(C(=O)N2CCN(C(=O)c3ccc(OF)c(-c4ccc(F)cc4)c3)CC2)c1
InChIInChI=1S/C26H24F3N3O3/c27-21-4-1-18(2-5-21)23-16-19(3-6-24(23)35-29)25(33)31-9-11-32(12-10-31)26(34)20-13-17(7-8-30)14-22(28)15-20/h1-6,13-16H,7-12,30H2
InChIKeyKGCUUXHSAQGKCA-UHFFFAOYSA-N
MW483.49 g/mol
LogP3.99
Rot. Bonds6

About [4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite

[4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite (PubChem CID 145374892) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is [4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite.

Molecular Properties

Compound Name[4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite
PubChem CID145374892
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC Name[4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite
SMILESNCCc1cc(F)cc(C(=O)N2CCN(C(=O)c3ccc(OF)c(-c4ccc(F)cc4)c3)CC2)c1
InChIInChI=1S/C26H24F3N3O3/c27-21-4-1-18(2-5-21)23-16-19(3-6-24(23)35-29)25(33)31-9-11-32(12-10-31)26(34)20-13-17(7-8-30)14-22(28)15-20/h1-6,13-16H,7-12,30H2
InChIKeyKGCUUXHSAQGKCA-UHFFFAOYSA-N
XLogP3.99
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
[3-(4-fluorophenyl)-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-piperazin-1-ylmethanone
CID 130471567
(3,4-diethoxyphenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19323344
[4-(4-aminobutyl)piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 43251809
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 86923254
[6-(2-aminoethyl)naphthalen-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 148615143
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110802400
[4-[2-(2-aminoethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;ethene
CID 145262537
[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46472827
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940
(3,4-dimethoxyphenyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4748211

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite?
The IUPAC name of [4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite (CID 145374892) is [4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite.
What is the SMILES notation for [4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite?
The canonical SMILES for [4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite is NCCc1cc(F)cc(C(=O)N2CCN(C(=O)c3ccc(OF)c(-c4ccc(F)cc4)c3)CC2)c1.
What is the InChIKey of [4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite?
The InChIKey is KGCUUXHSAQGKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c27-21-4-1-18(2-5-21)23-16-19(3-6-24(23)35-29)25(33)31-9-11-32(12-10-31)26(34)20-13-17(7-8-30)14-22(28)15-20/h1-6,13-16H,7-12,30H2.
What are the key properties of [4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite?
[4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite has a molecular weight of 483.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(2-aminoethyl)-5-fluorobenzoyl]piperazine-1-carbonyl]-2-(4-fluorophenyl)phenyl] hypofluorite is sourced from PubChem (CID 145374892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).