3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid

C14H21N3O2 — CID 55049652

IUPAC3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
SMILESCCc1cc(N2CCC(CCC(=O)O)CC2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-12-9-13(16-10-15-12)17-7-5-11(6-8-17)3-4-14(18)19/h9-11H,2-8H2,1H3,(H,18,19)
InChIKeyUIHFXNTYWKOJBO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.12
Rot. Bonds5

About 3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid

3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid (PubChem CID 55049652) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
PubChem CID55049652
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
SMILESCCc1cc(N2CCC(CCC(=O)O)CC2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-12-9-13(16-10-15-12)17-7-5-11(6-8-17)3-4-14(18)19/h9-11H,2-8H2,1H3,(H,18,19)
InChIKeyUIHFXNTYWKOJBO-UHFFFAOYSA-N
XLogP2.12
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid (CID 55049652) is 3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid is CCc1cc(N2CCC(CCC(=O)O)CC2)ncn1.
What is the InChIKey of 3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The InChIKey is UIHFXNTYWKOJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-12-9-13(16-10-15-12)17-7-5-11(6-8-17)3-4-14(18)19/h9-11H,2-8H2,1H3,(H,18,19).
What are the key properties of 3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 55049652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).