(5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one

C16H20FN3O2 — CID 124735451

IUPAC(5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](CN2CCN(C(=O)c3cccc(F)c3)CC2)N1
InChIInChI=1S/C16H20FN3O2/c17-13-3-1-2-12(10-13)16(22)20-8-6-19(7-9-20)11-14-4-5-15(21)18-14/h1-3,10,14H,4-9,11H2,(H,18,21)/t14-/m1/s1
InChIKeyNPZHGNDTGQQWBJ-CQSZACIVSA-N
MW305.35 g/mol
LogP0.86
Rot. Bonds3

About (5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one

(5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 124735451) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one
PubChem CID124735451
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](CN2CCN(C(=O)c3cccc(F)c3)CC2)N1
InChIInChI=1S/C16H20FN3O2/c17-13-3-1-2-12(10-13)16(22)20-8-6-19(7-9-20)11-14-4-5-15(21)18-14/h1-3,10,14H,4-9,11H2,(H,18,21)/t14-/m1/s1
InChIKeyNPZHGNDTGQQWBJ-CQSZACIVSA-N
XLogP0.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930083
5-[[[3-[2-[4-[3-(3-fluorophenyl)benzoyl]piperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 45169389
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083054
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one (CID 124735451) is (5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one is O=C1CC[C@H](CN2CCN(C(=O)c3cccc(F)c3)CC2)N1.
What is the InChIKey of (5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is NPZHGNDTGQQWBJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-13-3-1-2-12(10-13)16(22)20-8-6-19(7-9-20)11-14-4-5-15(21)18-14/h1-3,10,14H,4-9,11H2,(H,18,21)/t14-/m1/s1.
What are the key properties of (5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
(5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 305.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 124735451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).