3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid

C12H17N3O2 — CID 62216311

IUPAC3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
SMILESO=C(O)CCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H17N3O2/c16-11(17)3-2-10-4-8-15(9-5-10)12-13-6-1-7-14-12/h1,6-7,10H,2-5,8-9H2,(H,16,17)
InChIKeyLZIQWGXDMSISIC-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.56
Rot. Bonds4

About 3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid

3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid (PubChem CID 62216311) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
PubChem CID62216311
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
SMILESO=C(O)CCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H17N3O2/c16-11(17)3-2-10-4-8-15(9-5-10)12-13-6-1-7-14-12/h1,6-7,10H,2-5,8-9H2,(H,16,17)
InChIKeyLZIQWGXDMSISIC-UHFFFAOYSA-N
XLogP1.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 62959980
2-(1-pyrimidin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879902
3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 137335528
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
3-(1-phthalazin-1-ylpiperidin-4-yl)propanoic acid
CID 62216981
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 62218201
3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid
CID 105362083
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid
CID 62924471
3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid
CID 167574720
3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propanoic acid
CID 55049699

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid (CID 62216311) is 3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid is O=C(O)CCC1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid?
The InChIKey is LZIQWGXDMSISIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11(17)3-2-10-4-8-15(9-5-10)12-13-6-1-7-14-12/h1,6-7,10H,2-5,8-9H2,(H,16,17).
What are the key properties of 3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid?
3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid has a molecular weight of 235.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 62216311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).