1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid

C19H28N6O4 — CID 54184391

IUPAC1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid
SMILESNc1nccc(N2CCC(N3C(=O)OCC3CN3CCC(C(=O)O)CC3)CC2)n1
InChIInChI=1S/C19H28N6O4/c20-18-21-6-1-16(22-18)24-9-4-14(5-10-24)25-15(12-29-19(25)28)11-23-7-2-13(3-8-23)17(26)27/h1,6,13-15H,2-5,7-12H2,(H,26,27)(H2,20,21,22)
InChIKeyPEBSRTBVJWFQKB-UHFFFAOYSA-N
MW404.47 g/mol
LogP0.64
Rot. Bonds5

About 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid

1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 54184391) has the molecular formula C19H28N6O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid
PubChem CID54184391
Molecular FormulaC19H28N6O4
Molecular Weight404.47 g/mol
Exact Mass404.22
IUPAC Name1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid
SMILESNc1nccc(N2CCC(N3C(=O)OCC3CN3CCC(C(=O)O)CC3)CC2)n1
InChIInChI=1S/C19H28N6O4/c20-18-21-6-1-16(22-18)24-9-4-14(5-10-24)25-15(12-29-19(25)28)11-23-7-2-13(3-8-23)17(26)27/h1,6,13-15H,2-5,7-12H2,(H,26,27)(H2,20,21,22)
InChIKeyPEBSRTBVJWFQKB-UHFFFAOYSA-N
XLogP0.64
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid (CID 54184391) is 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid is Nc1nccc(N2CCC(N3C(=O)OCC3CN3CCC(C(=O)O)CC3)CC2)n1.
What is the InChIKey of 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is PEBSRTBVJWFQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O4/c20-18-21-6-1-16(22-18)24-9-4-14(5-10-24)25-15(12-29-19(25)28)11-23-7-2-13(3-8-23)17(26)27/h1,6,13-15H,2-5,7-12H2,(H,26,27)(H2,20,21,22).
What are the key properties of 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid?
1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 404.47 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 54184391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).