1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid

C13H16N4O4 — CID 67534598

IUPAC1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(NC(=O)c2cncnc2)(C(=O)O)CC1
InChIInChI=1S/C13H16N4O4/c1-9(18)17-4-2-13(3-5-17,12(20)21)16-11(19)10-6-14-8-15-7-10/h6-8H,2-5H2,1H3,(H,16,19)(H,20,21)
InChIKeyWJIFXPWHTAFHGF-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.33
Rot. Bonds3

About 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid

1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid (PubChem CID 67534598) has the molecular formula C13H16N4O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid
PubChem CID67534598
Molecular FormulaC13H16N4O4
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC Name1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(NC(=O)c2cncnc2)(C(=O)O)CC1
InChIInChI=1S/C13H16N4O4/c1-9(18)17-4-2-13(3-5-17,12(20)21)16-11(19)10-6-14-8-15-7-10/h6-8H,2-5H2,1H3,(H,16,19)(H,20,21)
InChIKeyWJIFXPWHTAFHGF-UHFFFAOYSA-N
XLogP-0.33
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid (CID 67534598) is 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid is CC(=O)N1CCC(NC(=O)c2cncnc2)(C(=O)O)CC1.
What is the InChIKey of 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid?
The InChIKey is WJIFXPWHTAFHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-9(18)17-4-2-13(3-5-17,12(20)21)16-11(19)10-6-14-8-15-7-10/h6-8H,2-5H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid?
1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 67534598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).