3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid

C14H23N3O3 — CID 63904562

IUPAC3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESCCn1cc(CN2CCC(OCCC(=O)O)CC2)cn1
InChIInChI=1S/C14H23N3O3/c1-2-17-11-12(9-15-17)10-16-6-3-13(4-7-16)20-8-5-14(18)19/h9,11,13H,2-8,10H2,1H3,(H,18,19)
InChIKeyHXAQZPUNJJJUHJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.36
Rot. Bonds7

About 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 63904562) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
PubChem CID63904562
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESCCn1cc(CN2CCC(OCCC(=O)O)CC2)cn1
InChIInChI=1S/C14H23N3O3/c1-2-17-11-12(9-15-17)10-16-6-3-13(4-7-16)20-8-5-14(18)19/h9,11,13H,2-8,10H2,1H3,(H,18,19)
InChIKeyHXAQZPUNJJJUHJ-UHFFFAOYSA-N
XLogP1.36
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid (CID 63904562) is 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid is CCn1cc(CN2CCC(OCCC(=O)O)CC2)cn1.
What is the InChIKey of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is HXAQZPUNJJJUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-17-11-12(9-15-17)10-16-6-3-13(4-7-16)20-8-5-14(18)19/h9,11,13H,2-8,10H2,1H3,(H,18,19).
What are the key properties of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63904562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).