1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid

C13H19N3O3 — CID 165081107

IUPAC1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCCCc1cnc(N2CCC(C(=O)O)CC2)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c1-2-3-10-8-14-13(15-11(10)17)16-6-4-9(5-7-16)12(18)19/h8-9H,2-7H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyVDFVXLFLUQELDL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.02
Rot. Bonds4

About 1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid

1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 165081107) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID165081107
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCCCc1cnc(N2CCC(C(=O)O)CC2)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c1-2-3-10-8-14-13(15-11(10)17)16-6-4-9(5-7-16)12(18)19/h8-9H,2-7H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyVDFVXLFLUQELDL-UHFFFAOYSA-N
XLogP1.02
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid (CID 165081107) is 1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid is CCCc1cnc(N2CCC(C(=O)O)CC2)[nH]c1=O.
What is the InChIKey of 1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is VDFVXLFLUQELDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-3-10-8-14-13(15-11(10)17)16-6-4-9(5-7-16)12(18)19/h8-9H,2-7H2,1H3,(H,18,19)(H,14,15,17).
What are the key properties of 1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 165081107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).