2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid

C15H18FNO3 — CID 62690576

IUPAC2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C15H18FNO3/c16-13-5-1-3-11(7-13)8-14(18)17-6-2-4-12(10-17)9-15(19)20/h1,3,5,7,12H,2,4,6,8-10H2,(H,19,20)
InChIKeyXEJXRUZJKSZIEF-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.08
Rot. Bonds4

About 2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid

2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid (PubChem CID 62690576) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid
PubChem CID62690576
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C15H18FNO3/c16-13-5-1-3-11(7-13)8-14(18)17-6-2-4-12(10-17)9-15(19)20/h1,3,5,7,12H,2,4,6,8-10H2,(H,19,20)
InChIKeyXEJXRUZJKSZIEF-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-1-[2-(3-aminophenyl)acetyl]piperidin-3-yl]acetic acid
CID 124512791
2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124979428
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124964415
4,4,4-trifluoro-1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]butan-1-one
CID 95129018
1-[4-(2-aminoacetyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone
CID 119306834
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 95097828
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 53211439
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetic acid
CID 62690570
3-[(3R)-1-[2-(3,4-difluorophenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124701583

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid (CID 62690576) is 2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)Cc2cccc(F)c2)C1.
What is the InChIKey of 2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid?
The InChIKey is XEJXRUZJKSZIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-13-5-1-3-11(7-13)8-14(18)17-6-2-4-12(10-17)9-15(19)20/h1,3,5,7,12H,2,4,6,8-10H2,(H,19,20).
What are the key properties of 2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid?
2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid has a molecular weight of 279.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).