2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide

C23H26BrN3O3 — CID 36918078

IUPAC2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H26BrN3O3/c1-2-11-25-21(28)16-26-12-14-27(15-13-26)23(30)20-6-4-3-5-19(20)22(29)17-7-9-18(24)10-8-17/h3-10H,2,11-16H2,1H3,(H,25,28)
InChIKeyVEOULDWZHVZNEC-UHFFFAOYSA-N
MW472.38 g/mol
LogP2.96
Rot. Bonds7

About 2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide

2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 36918078) has the molecular formula C23H26BrN3O3 and a molecular weight of 472.38 g/mol. Its IUPAC name is 2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide
PubChem CID36918078
Molecular FormulaC23H26BrN3O3
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H26BrN3O3/c1-2-11-25-21(28)16-26-12-14-27(15-13-26)23(30)20-6-4-3-5-19(20)22(29)17-7-9-18(24)10-8-17/h3-10H,2,11-16H2,1H3,(H,25,28)
InChIKeyVEOULDWZHVZNEC-UHFFFAOYSA-N
XLogP2.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methanone
CID 78842568
5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55981496
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549
[2-(4-benzoyl-1,4-diazepane-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 36616294
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110835
(4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone
CID 55868160
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014545
2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
CID 134014588
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 18163223

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide (CID 36918078) is 2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is VEOULDWZHVZNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O3/c1-2-11-25-21(28)16-26-12-14-27(15-13-26)23(30)20-6-4-3-5-19(20)22(29)17-7-9-18(24)10-8-17/h3-10H,2,11-16H2,1H3,(H,25,28).
What are the key properties of 2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 472.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 36918078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).