(5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate

C19H21FN2O3 — CID 55996017

IUPAC(5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OCc2ccc(F)c3cccnc23)C1
InChIInChI=1S/C19H21FN2O3/c1-2-17(23)22-10-4-5-13(11-22)19(24)25-12-14-7-8-16(20)15-6-3-9-21-18(14)15/h3,6-9,13H,2,4-5,10-12H2,1H3
InChIKeyFRVVRSDIFDJGRZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.07
Rot. Bonds4

About (5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate

(5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate (PubChem CID 55996017) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate
PubChem CID55996017
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OCc2ccc(F)c3cccnc23)C1
InChIInChI=1S/C19H21FN2O3/c1-2-17(23)22-10-4-5-13(11-22)19(24)25-12-14-7-8-16(20)15-6-3-9-21-18(14)15/h3,6-9,13H,2,4-5,10-12H2,1H3
InChIKeyFRVVRSDIFDJGRZ-UHFFFAOYSA-N
XLogP3.07
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612350
ethyl (3S)-1-[(8-hydroxyquinolin-5-yl)methyl]piperidine-3-carboxylate
CID 698137
1-(azepan-1-yl)-2-[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]ethanone
CID 55680173
ethyl (3R)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 81338802
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
[(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate
CID 97095151
(4-bromo-2-fluorophenyl)methyl 1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 102563547
1-[(3S)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one
CID 97203838
1-[2-(3-methyl-2-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 107147077
ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 51969024
1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 55880955

Frequently Asked Questions

What is the IUPAC name of (5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate?
The IUPAC name of (5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate (CID 55996017) is (5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for (5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for (5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate is CCC(=O)N1CCCC(C(=O)OCc2ccc(F)c3cccnc23)C1.
What is the InChIKey of (5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate?
The InChIKey is FRVVRSDIFDJGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-2-17(23)22-10-4-5-13(11-22)19(24)25-12-14-7-8-16(20)15-6-3-9-21-18(14)15/h3,6-9,13H,2,4-5,10-12H2,1H3.
What are the key properties of (5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate?
(5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 55996017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).