2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide

C20H27BrN4O3 — CID 55583198

IUPAC2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2CC(=O)N(c3ccccc3Br)C2)CC1
InChIInChI=1S/C20H27BrN4O3/c1-2-7-22-18(26)14-23-8-10-24(11-9-23)20(28)15-12-19(27)25(13-15)17-6-4-3-5-16(17)21/h3-6,15H,2,7-14H2,1H3,(H,22,26)
InChIKeyRVMAYKGFRHUYQB-UHFFFAOYSA-N
MW451.37 g/mol
LogP1.47
Rot. Bonds6

About 2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide

2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 55583198) has the molecular formula C20H27BrN4O3 and a molecular weight of 451.37 g/mol. Its IUPAC name is 2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide
PubChem CID55583198
Molecular FormulaC20H27BrN4O3
Molecular Weight451.37 g/mol
Exact Mass450.13
IUPAC Name2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2CC(=O)N(c3ccccc3Br)C2)CC1
InChIInChI=1S/C20H27BrN4O3/c1-2-7-22-18(26)14-23-8-10-24(11-9-23)20(28)15-12-19(27)25(13-15)17-6-4-3-5-16(17)21/h3-6,15H,2,7-14H2,1H3,(H,22,26)
InChIKeyRVMAYKGFRHUYQB-UHFFFAOYSA-N
XLogP1.47
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(3S)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 51935377
(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615751
(4S)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615752
1-(2-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851699
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 17080756
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9351131
1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113190318
(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 100712614
N,N-diethyl-2-[4-[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 55446956
1-(2-ethylphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56544658
1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112790414

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide (CID 55583198) is 2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)C2CC(=O)N(c3ccccc3Br)C2)CC1.
What is the InChIKey of 2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is RVMAYKGFRHUYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN4O3/c1-2-7-22-18(26)14-23-8-10-24(11-9-23)20(28)15-12-19(27)25(13-15)17-6-4-3-5-16(17)21/h3-6,15H,2,7-14H2,1H3,(H,22,26).
What are the key properties of 2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 451.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55583198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).