N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide

C22H25N3O3 — CID 78804572

IUPACN-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)N1CCN(C(=O)c2ccccc2)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-17(23-21(27)18-8-4-2-5-9-18)16-20(26)24-12-14-25(15-13-24)22(28)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,23,27)
InChIKeyLCVSBOCPGPTBAY-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.18
Rot. Bonds5

About N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide

N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide (PubChem CID 78804572) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide
PubChem CID78804572
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)N1CCN(C(=O)c2ccccc2)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-17(23-21(27)18-8-4-2-5-9-18)16-20(26)24-12-14-25(15-13-24)22(28)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,23,27)
InChIKeyLCVSBOCPGPTBAY-UHFFFAOYSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 86981010
N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide
CID 47027675
N-[4-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 55735695
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide
CID 46689755
N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide
CID 124875313
N-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 24679878
N-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 51271176
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide (CID 78804572) is N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide is CC(CC(=O)N1CCN(C(=O)c2ccccc2)CC1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide?
The InChIKey is LCVSBOCPGPTBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-17(23-21(27)18-8-4-2-5-9-18)16-20(26)24-12-14-25(15-13-24)22(28)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,23,27).
What are the key properties of N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide?
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 78804572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).