1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one

C17H24FN3O2 — CID 23584595

IUPAC1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H24FN3O2/c18-15-4-1-2-5-16(15)20-10-8-19(9-11-20)12-14(22)13-21-7-3-6-17(21)23/h1-2,4-5,14,22H,3,6-13H2
InChIKeyRHSWMANYLKYBHS-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.93
Rot. Bonds5

About 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 23584595) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID23584595
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H24FN3O2/c18-15-4-1-2-5-16(15)20-10-8-19(9-11-20)12-14(22)13-21-7-3-6-17(21)23/h1-2,4-5,14,22H,3,6-13H2
InChIKeyRHSWMANYLKYBHS-UHFFFAOYSA-N
XLogP0.93
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one (CID 23584595) is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is RHSWMANYLKYBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-15-4-1-2-5-16(15)20-10-8-19(9-11-20)12-14(22)13-21-7-3-6-17(21)23/h1-2,4-5,14,22H,3,6-13H2.
What are the key properties of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 321.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 23584595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).