(2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid

C16H23FN4O2 — CID 69090293

IUPAC(2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid
SMILESCc1ncc(F)c([C@H]2CC(C3CCNCC3)CCN2C(=O)O)n1
InChIInChI=1S/C16H23FN4O2/c1-10-19-9-13(17)15(20-10)14-8-12(4-7-21(14)16(22)23)11-2-5-18-6-3-11/h9,11-12,14,18H,2-8H2,1H3,(H,22,23)/t12?,14-/m1/s1
InChIKeyMUJHFXUGTNDYIQ-TYZXPVIJSA-N
MW322.38 g/mol
LogP2.35
Rot. Bonds2

About (2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid

(2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid (PubChem CID 69090293) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid
PubChem CID69090293
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name(2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid
SMILESCc1ncc(F)c([C@H]2CC(C3CCNCC3)CCN2C(=O)O)n1
InChIInChI=1S/C16H23FN4O2/c1-10-19-9-13(17)15(20-10)14-8-12(4-7-21(14)16(22)23)11-2-5-18-6-3-11/h9,11-12,14,18H,2-8H2,1H3,(H,22,23)/t12?,14-/m1/s1
InChIKeyMUJHFXUGTNDYIQ-TYZXPVIJSA-N
XLogP2.35
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid?
The IUPAC name of (2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid (CID 69090293) is (2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid is Cc1ncc(F)c([C@H]2CC(C3CCNCC3)CCN2C(=O)O)n1.
What is the InChIKey of (2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid?
The InChIKey is MUJHFXUGTNDYIQ-TYZXPVIJSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-10-19-9-13(17)15(20-10)14-8-12(4-7-21(14)16(22)23)11-2-5-18-6-3-11/h9,11-12,14,18H,2-8H2,1H3,(H,22,23)/t12?,14-/m1/s1.
What are the key properties of (2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid?
(2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid has a molecular weight of 322.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-fluoro-2-methylpyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 69090293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).