4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide

C23H27N3O3 — CID 53135581

IUPAC4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-17(2)12-13-24-21(27)19-10-8-18(9-11-19)16-25-14-15-26(23(29)22(25)28)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3,(H,24,27)
InChIKeyBZUUDUDGMWSFHR-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.84
Rot. Bonds7

About 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide

4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide (PubChem CID 53135581) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide
PubChem CID53135581
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-17(2)12-13-24-21(27)19-10-8-18(9-11-19)16-25-14-15-26(23(29)22(25)28)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3,(H,24,27)
InChIKeyBZUUDUDGMWSFHR-UHFFFAOYSA-N
XLogP2.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide
CID 53135564
N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide
CID 53135565
4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53135578
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 51195030
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53135627
N-(3-methylbutyl)-4-[(1,1,4-trihydroxy-1,2,5-thiadiazolidin-2-yl)methyl]benzamide
CID 174472078
4-[(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 53135397
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 53098629
N-butan-2-yl-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 53135645
N-butan-2-yl-4-[(4-methyl-2,3-dioxopiperazin-1-yl)methyl]benzamide
CID 53135358
N-[(2S)-butan-2-yl]-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 95092870
4-[[1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(3-methylbutyl)benzamide
CID 75550047

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide (CID 53135581) is 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1.
What is the InChIKey of 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide?
The InChIKey is BZUUDUDGMWSFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17(2)12-13-24-21(27)19-10-8-18(9-11-19)16-25-14-15-26(23(29)22(25)28)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3,(H,24,27).
What are the key properties of 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide?
4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 53135581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).