1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid

C19H22FN3O2 — CID 56767507

IUPAC1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCC(C)c1cc(N2CCCC(C(=O)O)C2)nc(-c2ccccc2F)n1
InChIInChI=1S/C19H22FN3O2/c1-12(2)16-10-17(23-9-5-6-13(11-23)19(24)25)22-18(21-16)14-7-3-4-8-15(14)20/h3-4,7-8,10,12-13H,5-6,9,11H2,1-2H3,(H,24,25)
InChIKeyDLYVJXFKDXVVHV-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.71
Rot. Bonds4

About 1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid

1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 56767507) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID56767507
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCC(C)c1cc(N2CCCC(C(=O)O)C2)nc(-c2ccccc2F)n1
InChIInChI=1S/C19H22FN3O2/c1-12(2)16-10-17(23-9-5-6-13(11-23)19(24)25)22-18(21-16)14-7-3-4-8-15(14)20/h3-4,7-8,10,12-13H,5-6,9,11H2,1-2H3,(H,24,25)
InChIKeyDLYVJXFKDXVVHV-UHFFFAOYSA-N
XLogP3.71
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-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-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine
CID 56768031
1-[6-ethyl-2-(2-fluorophenyl)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 56767423
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767542
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102549353
1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355193
1-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767537
(3S)-1-[6-(2-fluoroanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975918
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid (CID 56767507) is 1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid is CC(C)c1cc(N2CCCC(C(=O)O)C2)nc(-c2ccccc2F)n1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is DLYVJXFKDXVVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12(2)16-10-17(23-9-5-6-13(11-23)19(24)25)22-18(21-16)14-7-3-4-8-15(14)20/h3-4,7-8,10,12-13H,5-6,9,11H2,1-2H3,(H,24,25).
What are the key properties of 1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid?
1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 343.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56767507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).