2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid

C14H21N3O3 — CID 66331557

IUPAC2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
SMILESCCCOc1cc(N2CCCC(CC(=O)O)C2)ncn1
InChIInChI=1S/C14H21N3O3/c1-2-6-20-13-8-12(15-10-16-13)17-5-3-4-11(9-17)7-14(18)19/h8,10-11H,2-7,9H2,1H3,(H,18,19)
InChIKeyWOTZKGQBCATXGK-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.96
Rot. Bonds6

About 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid

2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid (PubChem CID 66331557) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
PubChem CID66331557
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
SMILESCCCOc1cc(N2CCCC(CC(=O)O)C2)ncn1
InChIInChI=1S/C14H21N3O3/c1-2-6-20-13-8-12(15-10-16-13)17-5-3-4-11(9-17)7-14(18)19/h8,10-11H,2-7,9H2,1H3,(H,18,19)
InChIKeyWOTZKGQBCATXGK-UHFFFAOYSA-N
XLogP1.96
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66331580
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 66331369
1-(6-propoxypyrimidin-4-yl)piperidin-3-amine
CID 66333796
2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 66333388
2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 66319441
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-propoxypyrimidine
CID 66334023
[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66334205
2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66332132
N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
CID 99614878
2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66320112

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid (CID 66331557) is 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid is CCCOc1cc(N2CCCC(CC(=O)O)C2)ncn1.
What is the InChIKey of 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid?
The InChIKey is WOTZKGQBCATXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-6-20-13-8-12(15-10-16-13)17-5-3-4-11(9-17)7-14(18)19/h8,10-11H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid?
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 66331557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).