2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid

C17H19N3O4 — CID 119182165

IUPAC2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CCC(c3cn[nH]c3)CC2)c1
InChIInChI=1S/C17H19N3O4/c21-16(22)11-24-15-3-1-2-13(8-15)17(23)20-6-4-12(5-7-20)14-9-18-19-10-14/h1-3,8-10,12H,4-7,11H2,(H,18,19)(H,21,22)
InChIKeyOKONCKZFXIEPFW-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.89
Rot. Bonds5

About 2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid

2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 119182165) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid
PubChem CID119182165
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CCC(c3cn[nH]c3)CC2)c1
InChIInChI=1S/C17H19N3O4/c21-16(22)11-24-15-3-1-2-13(8-15)17(23)20-6-4-12(5-7-20)14-9-18-19-10-14/h1-3,8-10,12H,4-7,11H2,(H,18,19)(H,21,22)
InChIKeyOKONCKZFXIEPFW-UHFFFAOYSA-N
XLogP1.89
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552733
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130
2-[3-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)phenoxy]acetic acid
CID 119182562
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 146136334
2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119184827
2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 120550406
2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
CID 22399450
2-[3-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119186986
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
2-[3-(4-pyridazin-3-ylpiperazine-1-carbonyl)phenoxy]acetic acid
CID 119183766
2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 136552167

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid (CID 119182165) is 2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)N2CCC(c3cn[nH]c3)CC2)c1.
What is the InChIKey of 2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is OKONCKZFXIEPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-16(22)11-24-15-3-1-2-13(8-15)17(23)20-6-4-12(5-7-20)14-9-18-19-10-14/h1-3,8-10,12H,4-7,11H2,(H,18,19)(H,21,22).
What are the key properties of 2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid?
2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 329.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 119182165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).