2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid

C16H20FNO3 — CID 61010514

IUPAC2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c17-13-7-4-12(5-8-13)6-9-15(19)18-10-2-1-3-14(18)11-16(20)21/h4-5,7-8,14H,1-3,6,9-11H2,(H,20,21)
InChIKeyZNGWUPQPNPUQRR-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.61
Rot. Bonds5

About 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid

2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid (PubChem CID 61010514) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
PubChem CID61010514
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c17-13-7-4-12(5-8-13)6-9-15(19)18-10-2-1-3-14(18)11-16(20)21/h4-5,7-8,14H,1-3,6,9-11H2,(H,20,21)
InChIKeyZNGWUPQPNPUQRR-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 60743171
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid
CID 61009964
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid
CID 129468857
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one
CID 136523441
2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide
CID 95615420
3-(4-fluorophenyl)-1-[(2R)-2-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]pyrrolidin-1-yl]propan-1-one
CID 124592360
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
3-(3,4-difluorophenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43428977
2-[(2R)-1-[(E)-4-(4-fluorophenyl)but-3-enoyl]pyrrolidin-2-yl]acetic acid
CID 129468782

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid (CID 61010514) is 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)CCc1ccc(F)cc1.
What is the InChIKey of 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid?
The InChIKey is ZNGWUPQPNPUQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-13-7-4-12(5-8-13)6-9-15(19)18-10-2-1-3-14(18)11-16(20)21/h4-5,7-8,14H,1-3,6,9-11H2,(H,20,21).
What are the key properties of 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid?
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid has a molecular weight of 293.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).