3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid

C14H18FN3O4 — CID 122018323

IUPAC3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCCC(Oc2ncccc2F)C1
InChIInChI=1S/C14H18FN3O4/c15-11-4-1-6-16-13(11)22-10-3-2-8-18(9-10)14(21)17-7-5-12(19)20/h1,4,6,10H,2-3,5,7-9H2,(H,17,21)(H,19,20)
InChIKeyIYUXQOVIBOICFE-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.25
Rot. Bonds5

About 3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid

3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 122018323) has the molecular formula C14H18FN3O4 and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid
PubChem CID122018323
Molecular FormulaC14H18FN3O4
Molecular Weight311.31 g/mol
Exact Mass311.13
IUPAC Name3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCCC(Oc2ncccc2F)C1
InChIInChI=1S/C14H18FN3O4/c15-11-4-1-6-16-13(11)22-10-3-2-8-18(9-10)14(21)17-7-5-12(19)20/h1,4,6,10H,2-3,5,7-9H2,(H,17,21)(H,19,20)
InChIKeyIYUXQOVIBOICFE-UHFFFAOYSA-N
XLogP1.25
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid 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

[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124738553
(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 125139170
[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 124874061
[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 128572366
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide
CID 117054833
(3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide
CID 124889925
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914043
N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122161080
1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120849833

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid (CID 122018323) is 3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)N1CCCC(Oc2ncccc2F)C1.
What is the InChIKey of 3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is IYUXQOVIBOICFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O4/c15-11-4-1-6-16-13(11)22-10-3-2-8-18(9-10)14(21)17-7-5-12(19)20/h1,4,6,10H,2-3,5,7-9H2,(H,17,21)(H,19,20).
What are the key properties of 3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid?
3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 311.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122018323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).