4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one

C22H23F2N3O2 — CID 113190652

IUPAC4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2F)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23F2N3O2/c23-18-6-7-20(19(24)13-18)27-15-17(12-21(27)28)22(29)26-10-8-25(9-11-26)14-16-4-2-1-3-5-16/h1-7,13,17H,8-12,14-15H2
InChIKeyIDRJPGPEXQVNHR-UHFFFAOYSA-N
MW399.44 g/mol
LogP2.66
Rot. Bonds4

About 4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one

4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one (PubChem CID 113190652) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is 4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one
PubChem CID113190652
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2F)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23F2N3O2/c23-18-6-7-20(19(24)13-18)27-15-17(12-21(27)28)22(29)26-10-8-25(9-11-26)14-16-4-2-1-3-5-16/h1-7,13,17H,8-12,14-15H2
InChIKeyIDRJPGPEXQVNHR-UHFFFAOYSA-N
XLogP2.66
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56544444
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
1-(2,4-difluorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55622618
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
1-(2,4-difluorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561630
4-(4-benzylpiperazine-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 113183434
1-(2-chlorophenyl)-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 134045069
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 119623296
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
(4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 124596683
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride
CID 120656440

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one (CID 113190652) is 4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(F)cc2F)C1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The InChIKey is IDRJPGPEXQVNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-18-6-7-20(19(24)13-18)27-15-17(12-21(27)28)22(29)26-10-8-25(9-11-26)14-16-4-2-1-3-5-16/h1-7,13,17H,8-12,14-15H2.
What are the key properties of 4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one?
4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one has a molecular weight of 399.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 113190652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).