3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid

C14H22N4O3 — CID 64830048

IUPAC3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid
SMILESCN(C)c1nccc(N2CCC(OCCC(=O)O)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-17(2)14-15-7-3-12(16-14)18-8-4-11(5-9-18)21-10-6-13(19)20/h3,7,11H,4-6,8-10H2,1-2H3,(H,19,20)
InChIKeyVGVQIZHYKONOFA-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.00
Rot. Bonds6

About 3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid

3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid (PubChem CID 64830048) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid
PubChem CID64830048
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid
SMILESCN(C)c1nccc(N2CCC(OCCC(=O)O)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-17(2)14-15-7-3-12(16-14)18-8-4-11(5-9-18)21-10-6-13(19)20/h3,7,11H,4-6,8-10H2,1-2H3,(H,19,20)
InChIKeyVGVQIZHYKONOFA-UHFFFAOYSA-N
XLogP1.00
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid (CID 64830048) is 3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid is CN(C)c1nccc(N2CCC(OCCC(=O)O)CC2)n1.
What is the InChIKey of 3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is VGVQIZHYKONOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17(2)14-15-7-3-12(16-14)18-8-4-11(5-9-18)21-10-6-13(19)20/h3,7,11H,4-6,8-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid?
3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 294.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 64830048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).