2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide

C26H32BrN3O2 — CID 42842510

IUPAC2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1)c1ccccc1
InChIInChI=1S/C26H32BrN3O2/c1-19(20-8-3-2-4-9-20)28-25(31)24(21-10-5-6-11-21)29-14-16-30(17-15-29)26(32)22-12-7-13-23(27)18-22/h2-4,7-9,12-13,18-19,21,24H,5-6,10-11,14-17H2,1H3,(H,28,31)
InChIKeyYSYJOFHSYTYPEZ-UHFFFAOYSA-N
MW498.47 g/mol
LogP4.64
Rot. Bonds6

About 2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide

2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide (PubChem CID 42842510) has the molecular formula C26H32BrN3O2 and a molecular weight of 498.47 g/mol. Its IUPAC name is 2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide
PubChem CID42842510
Molecular FormulaC26H32BrN3O2
Molecular Weight498.47 g/mol
Exact Mass497.17
IUPAC Name2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1)c1ccccc1
InChIInChI=1S/C26H32BrN3O2/c1-19(20-8-3-2-4-9-20)28-25(31)24(21-10-5-6-11-21)29-14-16-30(17-15-29)26(32)22-12-7-13-23(27)18-22/h2-4,7-9,12-13,18-19,21,24H,5-6,10-11,14-17H2,1H3,(H,28,31)
InChIKeyYSYJOFHSYTYPEZ-UHFFFAOYSA-N
XLogP4.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide with MolForge

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Related Compounds

(2R)-2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93209177
methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate
CID 42842519
2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842497
2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 42842520
(2S)-2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210398
4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide
CID 46027235
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 24719213
(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93222109
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 46027562
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-propan-2-ylacetamide
CID 42842473
(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
CID 93209974
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209461

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide (CID 42842510) is 2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide is CC(NC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide?
The InChIKey is YSYJOFHSYTYPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32BrN3O2/c1-19(20-8-3-2-4-9-20)28-25(31)24(21-10-5-6-11-21)29-14-16-30(17-15-29)26(32)22-12-7-13-23(27)18-22/h2-4,7-9,12-13,18-19,21,24H,5-6,10-11,14-17H2,1H3,(H,28,31).
What are the key properties of 2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide?
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide has a molecular weight of 498.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 42842510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).