(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one

C22H24FN3O3 — CID 40822839

IUPAC(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C22H24FN3O3/c1-29-20-8-6-19(7-9-20)26-15-16(14-21(26)27)22(28)25-12-10-24(11-13-25)18-4-2-17(23)3-5-18/h2-9,16H,10-15H2,1H3/t16-/m0/s1
InChIKeyRFTBTENWPAMMFW-INIZCTEOSA-N
MW397.45 g/mol
LogP2.54
Rot. Bonds4

About (4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one

(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 40822839) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is (4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID40822839
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C22H24FN3O3/c1-29-20-8-6-19(7-9-20)26-15-16(14-21(26)27)22(28)25-12-10-24(11-13-25)18-4-2-17(23)3-5-18/h2-9,16H,10-15H2,1H3/t16-/m0/s1
InChIKeyRFTBTENWPAMMFW-INIZCTEOSA-N
XLogP2.54
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
(3R)-1-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 39338037
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
(4S)-1-(4-methoxyphenyl)-4-[4-(3-methylbut-2-enoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29134485
1-(4-methoxyphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42650428
4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 112836587
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
1-(4-methoxyphenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122343462
4-[4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 75392272
1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113185530
1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46663955

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one (CID 40822839) is (4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1.
What is the InChIKey of (4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is RFTBTENWPAMMFW-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-29-20-8-6-19(7-9-20)26-15-16(14-21(26)27)22(28)25-12-10-24(11-13-25)18-4-2-17(23)3-5-18/h2-9,16H,10-15H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 397.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 40822839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).