1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid

C14H19N3O4 — CID 62657817

IUPAC1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1cc(C)n(CC(=O)N2CCC(C(=O)O)CC2)c(=O)n1
InChIInChI=1S/C14H19N3O4/c1-9-7-10(2)17(14(21)15-9)8-12(18)16-5-3-11(4-6-16)13(19)20/h7,11H,3-6,8H2,1-2H3,(H,19,20)
InChIKeyMWTMAQCIBZQPAR-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.18
Rot. Bonds3

About 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 62657817) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID62657817
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1cc(C)n(CC(=O)N2CCC(C(=O)O)CC2)c(=O)n1
InChIInChI=1S/C14H19N3O4/c1-9-7-10(2)17(14(21)15-9)8-12(18)16-5-3-11(4-6-16)13(19)20/h7,11H,3-6,8H2,1-2H3,(H,19,20)
InChIKeyMWTMAQCIBZQPAR-UHFFFAOYSA-N
XLogP0.18
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (CID 62657817) is 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid is Cc1cc(C)n(CC(=O)N2CCC(C(=O)O)CC2)c(=O)n1.
What is the InChIKey of 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is MWTMAQCIBZQPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-7-10(2)17(14(21)15-9)8-12(18)16-5-3-11(4-6-16)13(19)20/h7,11H,3-6,8H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62657817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).