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

C15H25N3O3 — CID 65065533

IUPAC3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
SMILESCCn1cc(C(C)N2CCC(OCCC(=O)O)CC2)cn1
InChIInChI=1S/C15H25N3O3/c1-3-18-11-13(10-16-18)12(2)17-7-4-14(5-8-17)21-9-6-15(19)20/h10-12,14H,3-9H2,1-2H3,(H,19,20)
InChIKeySXBLURDNZYVWHJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.92
Rot. Bonds7

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

3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 65065533) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
PubChem CID65065533
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
SMILESCCn1cc(C(C)N2CCC(OCCC(=O)O)CC2)cn1
InChIInChI=1S/C15H25N3O3/c1-3-18-11-13(10-16-18)12(2)17-7-4-14(5-8-17)21-9-6-15(19)20/h10-12,14H,3-9H2,1-2H3,(H,19,20)
InChIKeySXBLURDNZYVWHJ-UHFFFAOYSA-N
XLogP1.92
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid (CID 65065533) is 3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid is CCn1cc(C(C)N2CCC(OCCC(=O)O)CC2)cn1.
What is the InChIKey of 3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is SXBLURDNZYVWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-18-11-13(10-16-18)12(2)17-7-4-14(5-8-17)21-9-6-15(19)20/h10-12,14H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 295.38 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 65065533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).