2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid

C12H17N3O3 — CID 54899529

IUPAC2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid
SMILESCOc1ccnc(N2CCCCC2CC(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-18-10-5-6-13-12(14-10)15-7-3-2-4-9(15)8-11(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyHTNKXNPFGUMFLO-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.32
Rot. Bonds4

About 2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid

2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid (PubChem CID 54899529) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid
PubChem CID54899529
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid
SMILESCOc1ccnc(N2CCCCC2CC(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-18-10-5-6-13-12(14-10)15-7-3-2-4-9(15)8-11(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyHTNKXNPFGUMFLO-UHFFFAOYSA-N
XLogP1.32
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 16228258
2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 164636434
1-(4-Methoxypyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154857273
Methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
CID 26436414
2-(1-Pyrimidin-4-ylpiperidin-2-yl)acetic acid
CID 61254512
[1-(4-Methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid
CID 135365041
Pyrimidin-4-yl octanoate
CID 163377841
Ethyl 2-(1-pyrimidin-4-ylpiperidin-2-yl)acetate
CID 173527992
1-(4-Methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
CID 43244047
1-(4-Methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 43378911
1-(4-Methoxypyrimidin-2-yl)piperidine-2-carboxylic acid
CID 43378914
6-[(4-Methoxypyrimidin-2-yl)amino]hexanoic acid
CID 43378923

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid (CID 54899529) is 2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid is COc1ccnc(N2CCCCC2CC(=O)O)n1.
What is the InChIKey of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid?
The InChIKey is HTNKXNPFGUMFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-10-5-6-13-12(14-10)15-7-3-2-4-9(15)8-11(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid?
2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).