2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

C25H30BrN5O2 — CID 58055739

IUPAC2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2Br)CC1
InChIInChI=1S/C25H30BrN5O2/c1-4-29(5-2)25(32)23(19-9-7-6-8-10-19)31-15-13-30(14-16-31)22-12-11-20(17-21(22)26)24-27-18(3)28-33-24/h6-12,17,23H,4-5,13-16H2,1-3H3
InChIKeyZUFQCHUTPOXSHO-UHFFFAOYSA-N
MW512.45 g/mol
LogP4.54
Rot. Bonds7

About 2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (PubChem CID 58055739) has the molecular formula C25H30BrN5O2 and a molecular weight of 512.45 g/mol. Its IUPAC name is 2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
PubChem CID58055739
Molecular FormulaC25H30BrN5O2
Molecular Weight512.45 g/mol
Exact Mass511.16
IUPAC Name2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2Br)CC1
InChIInChI=1S/C25H30BrN5O2/c1-4-29(5-2)25(32)23(19-9-7-6-8-10-19)31-15-13-30(14-16-31)22-12-11-20(17-21(22)26)24-27-18(3)28-33-24/h6-12,17,23H,4-5,13-16H2,1-3H3
InChIKeyZUFQCHUTPOXSHO-UHFFFAOYSA-N
XLogP4.54
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055774
N,N-diethyl-2-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055777
N,N-diethyl-2-[4-[4-(5-ethyl-1,3-oxazol-2-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055783
methyl 2-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-1,3-oxazole-4-carboxylate
CID 58055766
N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 42643943
N,N-diethyl-2-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 58157308
N,N-diethyl-2-[4-(2-fluoro-4-formylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 86612370
N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
CID 55410522
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55387328
2-[4-[4-[(1Z)-1-aminobuta-1,3-dienyl]-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 89175328
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 58870720
(2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 30776820

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (CID 58055739) is 2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2Br)CC1.
What is the InChIKey of 2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The InChIKey is ZUFQCHUTPOXSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrN5O2/c1-4-29(5-2)25(32)23(19-9-7-6-8-10-19)31-15-13-30(14-16-31)22-12-11-20(17-21(22)26)24-27-18(3)28-33-24/h6-12,17,23H,4-5,13-16H2,1-3H3.
What are the key properties of 2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide has a molecular weight of 512.45 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-bromo-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 58055739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).