3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid

C15H21N3O3 — CID 137335528

IUPAC3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
SMILESCC(=O)c1cnc(N2CCC(CCC(=O)O)CC2)nc1C
InChIInChI=1S/C15H21N3O3/c1-10-13(11(2)19)9-16-15(17-10)18-7-5-12(6-8-18)3-4-14(20)21/h9,12H,3-8H2,1-2H3,(H,20,21)
InChIKeyLZLUOMIGFBDIGU-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.07
Rot. Bonds5

About 3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid

3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid (PubChem CID 137335528) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
PubChem CID137335528
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
SMILESCC(=O)c1cnc(N2CCC(CCC(=O)O)CC2)nc1C
InChIInChI=1S/C15H21N3O3/c1-10-13(11(2)19)9-16-15(17-10)18-7-5-12(6-8-18)3-4-14(20)21/h9,12H,3-8H2,1-2H3,(H,20,21)
InChIKeyLZLUOMIGFBDIGU-UHFFFAOYSA-N
XLogP2.07
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid (CID 137335528) is 3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid is CC(=O)c1cnc(N2CCC(CCC(=O)O)CC2)nc1C.
What is the InChIKey of 3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid?
The InChIKey is LZLUOMIGFBDIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-13(11(2)19)9-16-15(17-10)18-7-5-12(6-8-18)3-4-14(20)21/h9,12H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid?
3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 137335528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).