N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide

C24H27BrN4O3 — CID 60613303

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C24H27BrN4O3/c25-20-8-4-5-9-21(20)29-17-19(14-22(29)30)24(32)26-15-23(31)28-12-10-27(11-13-28)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,26,32)
InChIKeyRBZBTGGPFARHBR-UHFFFAOYSA-N
MW499.41 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 60613303) has the molecular formula C24H27BrN4O3 and a molecular weight of 499.41 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID60613303
Molecular FormulaC24H27BrN4O3
Molecular Weight499.41 g/mol
Exact Mass498.13
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C24H27BrN4O3/c25-20-8-4-5-9-21(20)29-17-19(14-22(29)30)24(32)26-15-23(31)28-12-10-27(11-13-28)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,26,32)
InChIKeyRBZBTGGPFARHBR-UHFFFAOYSA-N
XLogP2.26
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39037161
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide
CID 42952999
(3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 95784633
(3R)-1-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 95784632
1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119445531
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187504
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
(3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 39562299
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 60613303) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RBZBTGGPFARHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O3/c25-20-8-4-5-9-21(20)29-17-19(14-22(29)30)24(32)26-15-23(31)28-12-10-27(11-13-28)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,26,32).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 499.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60613303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).