4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid

C18H19FN2O4 — CID 56901005

IUPAC4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid
SMILESO=C(Cn1cccc1)N1CCC(Oc2ccc(F)cc2)(C(=O)O)CC1
InChIInChI=1S/C18H19FN2O4/c19-14-3-5-15(6-4-14)25-18(17(23)24)7-11-21(12-8-18)16(22)13-20-9-1-2-10-20/h1-6,9-10H,7-8,11-13H2,(H,23,24)
InChIKeyTWUSVCNSXLFTHH-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.15
Rot. Bonds5

About 4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid

4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid (PubChem CID 56901005) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid
PubChem CID56901005
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid
SMILESO=C(Cn1cccc1)N1CCC(Oc2ccc(F)cc2)(C(=O)O)CC1
InChIInChI=1S/C18H19FN2O4/c19-14-3-5-15(6-4-14)25-18(17(23)24)7-11-21(12-8-18)16(22)13-20-9-1-2-10-20/h1-6,9-10H,7-8,11-13H2,(H,23,24)
InChIKeyTWUSVCNSXLFTHH-UHFFFAOYSA-N
XLogP2.15
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)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

4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid
CID 56900262
1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
CID 56894387
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid
CID 56908037
4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid
CID 56882480
1-piperazin-1-yl-2-pyrrol-1-ylethanone
CID 61350188
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid
CID 156775987
1-[2-(5-methyl-3,4-dihydropyrazol-2-yl)acetyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid
CID 56900428
1-[2-(dimethylamino)acetyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 56905537
1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
CID 56893029
4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56883286
1-[2-(4-fluorophenoxy)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146320

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid (CID 56901005) is 4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid is O=C(Cn1cccc1)N1CCC(Oc2ccc(F)cc2)(C(=O)O)CC1.
What is the InChIKey of 4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid?
The InChIKey is TWUSVCNSXLFTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c19-14-3-5-15(6-4-14)25-18(17(23)24)7-11-21(12-8-18)16(22)13-20-9-1-2-10-20/h1-6,9-10H,7-8,11-13H2,(H,23,24).
What are the key properties of 4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid?
4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid has a molecular weight of 346.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56901005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).