4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid

C13H21FN2O4 — CID 154865412

IUPAC4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)N1CCCC(F)C1
InChIInChI=1S/C13H21FN2O4/c14-10-2-1-5-16(8-10)12(19)15-9-13(11(17)18)3-6-20-7-4-13/h10H,1-9H2,(H,15,19)(H,17,18)
InChIKeyHUZATNMKKKSLJM-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.01
Rot. Bonds3

About 4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 154865412) has the molecular formula C13H21FN2O4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID154865412
Molecular FormulaC13H21FN2O4
Molecular Weight288.32 g/mol
Exact Mass288.15
IUPAC Name4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)N1CCCC(F)C1
InChIInChI=1S/C13H21FN2O4/c14-10-2-1-5-16(8-10)12(19)15-9-13(11(17)18)3-6-20-7-4-13/h10H,1-9H2,(H,15,19)(H,17,18)
InChIKeyHUZATNMKKKSLJM-UHFFFAOYSA-N
XLogP1.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 102962837
4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 113310020
4-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440579
4-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440266
1-[[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451731
4-[[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440404
1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312418
1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444749
1-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102963018
4-[[(2-methylazepane-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440562
4-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541562
1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451548

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 154865412) is 4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid is O=C(NCC1(C(=O)O)CCOCC1)N1CCCC(F)C1.
What is the InChIKey of 4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is HUZATNMKKKSLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O4/c14-10-2-1-5-16(8-10)12(19)15-9-13(11(17)18)3-6-20-7-4-13/h10H,1-9H2,(H,15,19)(H,17,18).
What are the key properties of 4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 154865412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).