1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid

C15H18FNO4 — CID 63934028

IUPAC1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCc2ccccc2F)CC1
InChIInChI=1S/C15H18FNO4/c16-13-4-2-1-3-12(13)9-21-10-14(18)17-7-5-11(6-8-17)15(19)20/h1-4,11H,5-10H2,(H,19,20)
InChIKeyQOKBMXYRDUWAOW-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.67
Rot. Bonds5

About 1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid

1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid (PubChem CID 63934028) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid
PubChem CID63934028
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCc2ccccc2F)CC1
InChIInChI=1S/C15H18FNO4/c16-13-4-2-1-3-12(13)9-21-10-14(18)17-7-5-11(6-8-17)15(19)20/h1-4,11H,5-10H2,(H,19,20)
InChIKeyQOKBMXYRDUWAOW-UHFFFAOYSA-N
XLogP1.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 124700128
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone
CID 24763607
1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
CID 119166059
1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid
CID 83052469
1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122010210
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 124688108
1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742
1-[2-[2-(difluoromethoxy)phenyl]acetyl]piperidine-4-carboxylic acid
CID 119166793
1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid
CID 62657041

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid (CID 63934028) is 1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)COCc2ccccc2F)CC1.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid?
The InChIKey is QOKBMXYRDUWAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-13-4-2-1-3-12(13)9-21-10-14(18)17-7-5-11(6-8-17)15(19)20/h1-4,11H,5-10H2,(H,19,20).
What are the key properties of 1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid?
1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63934028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).