2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid

C14H17N3O3 — CID 114765410

IUPAC2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
SMILESCc1cc(C#N)cc(N2CCC(OCC(=O)O)CC2)n1
InChIInChI=1S/C14H17N3O3/c1-10-6-11(8-15)7-13(16-10)17-4-2-12(3-5-17)20-9-14(18)19/h6-7,12H,2-5,9H2,1H3,(H,18,19)
InChIKeyHQFGQULXVYGALJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.33
Rot. Bonds4

About 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid

2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid (PubChem CID 114765410) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
PubChem CID114765410
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
SMILESCc1cc(C#N)cc(N2CCC(OCC(=O)O)CC2)n1
InChIInChI=1S/C14H17N3O3/c1-10-6-11(8-15)7-13(16-10)17-4-2-12(3-5-17)20-9-14(18)19/h6-7,12H,2-5,9H2,1H3,(H,18,19)
InChIKeyHQFGQULXVYGALJ-UHFFFAOYSA-N
XLogP1.33
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766521
2-[1-(4-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114765472
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
N-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 114766577
2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 55250913
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946
2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
CID 114770401
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766561
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 114765581
2-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]oxyacetic acid
CID 118525294
ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate
CID 114765903

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid (CID 114765410) is 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid is Cc1cc(C#N)cc(N2CCC(OCC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is HQFGQULXVYGALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-6-11(8-15)7-13(16-10)17-4-2-12(3-5-17)20-9-14(18)19/h6-7,12H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid?
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 275.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 114765410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).