(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C22H24FN3O2 — CID 90675575

IUPAC(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CCC(=O)N1Cc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H24FN3O2/c23-18-8-4-5-9-19(18)24-12-14-25(15-13-24)22(28)20-10-11-21(27)26(20)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2/t20-/m0/s1
InChIKeySFKGGYGSZZAAOA-FQEVSTJZSA-N
MW381.45 g/mol
LogP2.67
Rot. Bonds4

About (5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90675575) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is (5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID90675575
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CCC(=O)N1Cc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H24FN3O2/c23-18-8-4-5-9-19(18)24-12-14-25(15-13-24)22(28)20-10-11-21(27)26(20)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2/t20-/m0/s1
InChIKeySFKGGYGSZZAAOA-FQEVSTJZSA-N
XLogP2.67
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110414262
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110687296
1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110387617
1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 139023933
(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 100815989
1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110631322
1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110629818
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate
CID 15337768
[1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42870479
5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 110687274

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 90675575) is (5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C([C@@H]1CCC(=O)N1Cc1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is SFKGGYGSZZAAOA-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-18-8-4-5-9-19(18)24-12-14-25(15-13-24)22(28)20-10-11-21(27)26(20)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2/t20-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 381.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90675575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).