1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid

C13H14FN5O2 — CID 56910367

IUPAC1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2ccnc2)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H14FN5O2/c14-10-7-16-12(17-8-10)18-4-1-13(2-5-18,11(20)21)19-6-3-15-9-19/h3,6-9H,1-2,4-5H2,(H,20,21)
InChIKeyUQQUFAMFDSFYEL-UHFFFAOYSA-N
MW291.29 g/mol
LogP0.89
Rot. Bonds3

About 1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid

1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56910367) has the molecular formula C13H14FN5O2 and a molecular weight of 291.29 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56910367
Molecular FormulaC13H14FN5O2
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2ccnc2)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H14FN5O2/c14-10-7-16-12(17-8-10)18-4-1-13(2-5-18,11(20)21)19-6-3-15-9-19/h3,6-9H,1-2,4-5H2,(H,20,21)
InChIKeyUQQUFAMFDSFYEL-UHFFFAOYSA-N
XLogP0.89
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic 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

1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 71778750
Methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 168823421
1-[5-Fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823461
1-[5-Fluoro-4-(2-methylimidazol-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 172581439
1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56888769
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methyl-1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56912531
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56912571
1-[6-(2-Methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823424
1-[4-(2-Methylimidazol-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 172581404
1-(5-Amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 19154346
1-(Imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid
CID 43441574
1-(2-Pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid
CID 50742583

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid (CID 56910367) is 1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid is O=C(O)C1(n2ccnc2)CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is UQQUFAMFDSFYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O2/c14-10-7-16-12(17-8-10)18-4-1-13(2-5-18,11(20)21)19-6-3-15-9-19/h3,6-9H,1-2,4-5H2,(H,20,21).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 291.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56910367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).