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

C14H21N3O2 — CID 138030149

IUPAC2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESCC(C)c1nccc(N2CCCCC2CC(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-10(2)14-15-7-6-12(16-14)17-8-4-3-5-11(17)9-13(18)19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyNYUIEVCAXHFTNH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.43
Rot. Bonds4

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

2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid (PubChem CID 138030149) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
PubChem CID138030149
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESCC(C)c1nccc(N2CCCCC2CC(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-10(2)14-15-7-6-12(16-14)17-8-4-3-5-11(17)9-13(18)19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyNYUIEVCAXHFTNH-UHFFFAOYSA-N
XLogP2.43
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 99857386
methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate
CID 62771827
3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid
CID 116972319
2-[1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]acetic acid
CID 117028588
2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid
CID 116976841
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 61240133
2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 115354718
2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
CID 115529605
2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid
CID 115972951
2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 83044088

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid (CID 138030149) is 2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid is CC(C)c1nccc(N2CCCCC2CC(=O)O)n1.
What is the InChIKey of 2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The InChIKey is NYUIEVCAXHFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)14-15-7-6-12(16-14)17-8-4-3-5-11(17)9-13(18)19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 138030149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).