(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one

C24H29N3O2 — CID 9388978

IUPAC(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-2-19-8-10-22(11-9-19)27-18-21(16-23(27)28)24(29)26-14-12-25(13-15-26)17-20-6-4-3-5-7-20/h3-11,21H,2,12-18H2,1H3/t21-/m1/s1
InChIKeyUZQJJQFOIDRZBP-OAQYLSRUSA-N
MW391.52 g/mol
LogP2.95
Rot. Bonds5

About (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one

(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one (PubChem CID 9388978) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
PubChem CID9388978
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-2-19-8-10-22(11-9-19)27-18-21(16-23(27)28)24(29)26-14-12-25(13-15-26)17-20-6-4-3-5-7-20/h3-11,21H,2,12-18H2,1H3/t21-/m1/s1
InChIKeyUZQJJQFOIDRZBP-OAQYLSRUSA-N
XLogP2.95
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9390081
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
1-(4-ethylphenyl)-4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 60578396
1-(4-ethylphenyl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46563053
N-(2,6-dimethylphenyl)-2-[4-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 46809500
N-[1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 46464404
4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 113190652
1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034872
4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one
CID 43057140
4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110629361
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 45340293

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one (CID 9388978) is (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one is CCc1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1.
What is the InChIKey of (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The InChIKey is UZQJJQFOIDRZBP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-19-8-10-22(11-9-19)27-18-21(16-23(27)28)24(29)26-14-12-25(13-15-26)17-20-6-4-3-5-7-20/h3-11,21H,2,12-18H2,1H3/t21-/m1/s1.
What are the key properties of (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one?
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 9388978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).