1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid

C11H13F2N3O3 — CID 62216403

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(Cc2nccn2C(F)F)C1
InChIInChI=1S/C11H13F2N3O3/c12-11(13)16-4-3-14-8(16)6-15-5-7(10(18)19)1-2-9(15)17/h3-4,7,11H,1-2,5-6H2,(H,18,19)
InChIKeyIREUSCWNLOGSCF-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.10
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 62216403) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID62216403
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(Cc2nccn2C(F)F)C1
InChIInChI=1S/C11H13F2N3O3/c12-11(13)16-4-3-14-8(16)6-15-5-7(10(18)19)1-2-9(15)17/h3-4,7,11H,1-2,5-6H2,(H,18,19)
InChIKeyIREUSCWNLOGSCF-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H,6H,7H,8H-imidazo(1,2-a)pyridine-8-carboxylic acid
CID 47003545
5H,6H,7H,8H-imidazo(1,2-a)pyridine-6-carboxylic acid hydrochloride
CID 91663960
Rac-(2R,3R)-1-cyclopropyl-2-(1-methyl-1H-imidazol-2-YL)-6-oxopiperidine-3-carboxylic acid
CID 124298095
5H,6H,7H,8H-imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
CID 165801362
5-(2-ethyl-1H-imidazol-1-yl)-5-oxopentanoic acid
CID 6620569
ethyl (3S)-1-(3-imidazol-1-ylpropanoyl)piperidine-3-carboxylate
CID 51419312
5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
CID 10820947
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 43414288
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 43440682
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563749
Ethyl 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylate
CID 60718616
3-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]propanoic acid
CID 61705945

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid (CID 62216403) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(Cc2nccn2C(F)F)C1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is IREUSCWNLOGSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3/c12-11(13)16-4-3-14-8(16)6-15-5-7(10(18)19)1-2-9(15)17/h3-4,7,11H,1-2,5-6H2,(H,18,19).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 273.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62216403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).