3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid

C15H23N3O3 — CID 136689829

IUPAC3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCC(C)c1nc(N2CCCC(C)(C)C2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-9(2)13-16-10(8-11(19)17-13)18-7-5-6-15(3,4)12(18)14(20)21/h8-9,12H,5-7H2,1-4H3,(H,20,21)(H,16,17,19)
InChIKeyCSXXXIYGYRFSTL-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.97
Rot. Bonds3

About 3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid

3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 136689829) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID136689829
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCC(C)c1nc(N2CCCC(C)(C)C2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-9(2)13-16-10(8-11(19)17-13)18-7-5-6-15(3,4)12(18)14(20)21/h8-9,12H,5-7H2,1-4H3,(H,20,21)(H,16,17,19)
InChIKeyCSXXXIYGYRFSTL-UHFFFAOYSA-N
XLogP1.97
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid (CID 136689829) is 3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid is CC(C)c1nc(N2CCCC(C)(C)C2C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is CSXXXIYGYRFSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)13-16-10(8-11(19)17-13)18-7-5-6-15(3,4)12(18)14(20)21/h8-9,12H,5-7H2,1-4H3,(H,20,21)(H,16,17,19).
What are the key properties of 3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 136689829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).