4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid

C11H15FN4O3 — CID 90809350

IUPAC4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1(F)CCN(C(=O)O)CC1)c1ccn[nH]1
InChIInChI=1S/C11H15FN4O3/c12-11(2-5-16(6-3-11)10(18)19)7-13-9(17)8-1-4-14-15-8/h1,4H,2-3,5-7H2,(H,13,17)(H,14,15)(H,18,19)
InChIKeyGAARXKKWNUTKGP-UHFFFAOYSA-N
MW270.26 g/mol
LogP0.62
Rot. Bonds3

About 4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid

4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 90809350) has the molecular formula C11H15FN4O3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
PubChem CID90809350
Molecular FormulaC11H15FN4O3
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1(F)CCN(C(=O)O)CC1)c1ccn[nH]1
InChIInChI=1S/C11H15FN4O3/c12-11(2-5-16(6-3-11)10(18)19)7-13-9(17)8-1-4-14-15-8/h1,4H,2-3,5-7H2,(H,13,17)(H,14,15)(H,18,19)
InChIKeyGAARXKKWNUTKGP-UHFFFAOYSA-N
XLogP0.62
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid (CID 90809350) is 4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid is O=C(NCC1(F)CCN(C(=O)O)CC1)c1ccn[nH]1.
What is the InChIKey of 4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is GAARXKKWNUTKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O3/c12-11(2-5-16(6-3-11)10(18)19)7-13-9(17)8-1-4-14-15-8/h1,4H,2-3,5-7H2,(H,13,17)(H,14,15)(H,18,19).
What are the key properties of 4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid?
4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90809350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).