3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate

C19H20FNO3 — CID 87044345

IUPAC3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate
SMILESO=C(CCCC(=O)c1ccc(F)cc1)OCCCc1ccncc1
InChIInChI=1S/C19H20FNO3/c20-17-8-6-16(7-9-17)18(22)4-1-5-19(23)24-14-2-3-15-10-12-21-13-11-15/h6-13H,1-5,14H2
InChIKeyHDDICIFLXVRGSG-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.75
Rot. Bonds9

About 3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate

3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate (PubChem CID 87044345) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate.

Molecular Properties

Compound Name3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate
PubChem CID87044345
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate
SMILESO=C(CCCC(=O)c1ccc(F)cc1)OCCCc1ccncc1
InChIInChI=1S/C19H20FNO3/c20-17-8-6-16(7-9-17)18(22)4-1-5-19(23)24-14-2-3-15-10-12-21-13-11-15/h6-13H,1-5,14H2
InChIKeyHDDICIFLXVRGSG-UHFFFAOYSA-N
XLogP3.75
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-4-ylpropyl pentanoate
CID 78842155
2-methoxyethyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78830805
1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
CID 57095920
5-O-[2-(4-fluorophenyl)ethyl] 1-O-heptadecyl pentanedioate
CID 91711478
3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate
CID 60554630
propyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 54941734
3-pyridin-4-ylpropyl 4-bromobenzoate
CID 52893750
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
bis(3-phenylpropyl) hexanedioate
CID 59854363
(2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate
CID 86989801
bis(3-phenylpropyl) decanedioate
CID 91710064
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62031765

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate?
The IUPAC name of 3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate (CID 87044345) is 3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate.
What is the SMILES notation for 3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate?
The canonical SMILES for 3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate is O=C(CCCC(=O)c1ccc(F)cc1)OCCCc1ccncc1.
What is the InChIKey of 3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate?
The InChIKey is HDDICIFLXVRGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-17-8-6-16(7-9-17)18(22)4-1-5-19(23)24-14-2-3-15-10-12-21-13-11-15/h6-13H,1-5,14H2.
What are the key properties of 3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate?
3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate has a molecular weight of 329.37 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate is sourced from PubChem (CID 87044345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).