1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride

C17H23ClFN3O2 — CID 122148268

IUPAC1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCC1CC(c2ccccc2F)N(C(=O)CN2CCNCC2=O)C1.Cl
InChIInChI=1S/C17H22FN3O2.ClH/c1-12-8-15(13-4-2-3-5-14(13)18)21(10-12)17(23)11-20-7-6-19-9-16(20)22;/h2-5,12,15,19H,6-11H2,1H3;1H
InChIKeyLAEDQVTVXMTMOJ-UHFFFAOYSA-N
MW355.84 g/mol
LogP1.59
Rot. Bonds3

About 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride

1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride (PubChem CID 122148268) has the molecular formula C17H23ClFN3O2 and a molecular weight of 355.84 g/mol. Its IUPAC name is 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
PubChem CID122148268
Molecular FormulaC17H23ClFN3O2
Molecular Weight355.84 g/mol
Exact Mass355.15
IUPAC Name1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCC1CC(c2ccccc2F)N(C(=O)CN2CCNCC2=O)C1.Cl
InChIInChI=1S/C17H22FN3O2.ClH/c1-12-8-15(13-4-2-3-5-14(13)18)21(10-12)17(23)11-20-7-6-19-9-16(20)22;/h2-5,12,15,19H,6-11H2,1H3;1H
InChIKeyLAEDQVTVXMTMOJ-UHFFFAOYSA-N
XLogP1.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride (CID 122148268) is 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride is CC1CC(c2ccccc2F)N(C(=O)CN2CCNCC2=O)C1.Cl.
What is the InChIKey of 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride?
The InChIKey is LAEDQVTVXMTMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2.ClH/c1-12-8-15(13-4-2-3-5-14(13)18)21(10-12)17(23)11-20-7-6-19-9-16(20)22;/h2-5,12,15,19H,6-11H2,1H3;1H.
What are the key properties of 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride?
1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride has a molecular weight of 355.84 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 122148268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).