1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid

C17H22FN3O3 — CID 119908458

IUPAC1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H22FN3O3/c18-13-4-1-2-5-14(13)19-8-10-20(11-9-19)16(22)12-21-7-3-6-15(21)17(23)24/h1-2,4-5,15H,3,6-12H2,(H,23,24)
InChIKeyASEKXPYZFSLIQT-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.02
Rot. Bonds4

About 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid

1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119908458) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID119908458
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H22FN3O3/c18-13-4-1-2-5-14(13)19-8-10-20(11-9-19)16(22)12-21-7-3-6-15(21)17(23)24/h1-2,4-5,15H,3,6-12H2,(H,23,24)
InChIKeyASEKXPYZFSLIQT-UHFFFAOYSA-N
XLogP1.02
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 119908458) is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ASEKXPYZFSLIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-13-4-1-2-5-14(13)19-8-10-20(11-9-19)16(22)12-21-7-3-6-15(21)17(23)24/h1-2,4-5,15H,3,6-12H2,(H,23,24).
What are the key properties of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 335.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119908458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).