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

C11H15N3O3 — CID 83870251

IUPAC4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCNCC2)nc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-6-8(14-10(17)13-7)11(9(15)16)2-4-12-5-3-11/h6,12H,2-5H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyIIXPWYZFVAZYSK-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.22
Rot. Bonds2

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

4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 83870251) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID83870251
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCNCC2)nc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-6-8(14-10(17)13-7)11(9(15)16)2-4-12-5-3-11/h6,12H,2-5H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyIIXPWYZFVAZYSK-UHFFFAOYSA-N
XLogP-0.22
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 83870251) is 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is Cc1cc(C2(C(=O)O)CCNCC2)nc(=O)[nH]1.
What is the InChIKey of 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is IIXPWYZFVAZYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-6-8(14-10(17)13-7)11(9(15)16)2-4-12-5-3-11/h6,12H,2-5H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 83870251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).