2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

C19H22FN3O3 — CID 119069597

IUPAC2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESCc1cc(F)ccc1CC(=O)N1CCCC(c2ccn(CC(=O)O)n2)C1
InChIInChI=1S/C19H22FN3O3/c1-13-9-16(20)5-4-14(13)10-18(24)22-7-2-3-15(11-22)17-6-8-23(21-17)12-19(25)26/h4-6,8-9,15H,2-3,7,10-12H2,1H3,(H,25,26)
InChIKeyYDBLXLZWAKKCOP-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.36
Rot. Bonds5

About 2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 119069597) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID119069597
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESCc1cc(F)ccc1CC(=O)N1CCCC(c2ccn(CC(=O)O)n2)C1
InChIInChI=1S/C19H22FN3O3/c1-13-9-16(20)5-4-14(13)10-18(24)22-7-2-3-15(11-22)17-6-8-23(21-17)12-19(25)26/h4-6,8-9,15H,2-3,7,10-12H2,1H3,(H,25,26)
InChIKeyYDBLXLZWAKKCOP-UHFFFAOYSA-N
XLogP2.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 119069597) is 2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is Cc1cc(F)ccc1CC(=O)N1CCCC(c2ccn(CC(=O)O)n2)C1.
What is the InChIKey of 2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is YDBLXLZWAKKCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-13-9-16(20)5-4-14(13)10-18(24)22-7-2-3-15(11-22)17-6-8-23(21-17)12-19(25)26/h4-6,8-9,15H,2-3,7,10-12H2,1H3,(H,25,26).
What are the key properties of 2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 359.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[2-(4-fluoro-2-methylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119069597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).