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

C26H25N3O3 — CID 53135564

IUPAC4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1)c1ccccc1
InChIInChI=1S/C26H25N3O3/c1-19(21-8-4-2-5-9-21)27-24(30)22-14-12-20(13-15-22)18-28-16-17-29(26(32)25(28)31)23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3,(H,27,30)
InChIKeyPIZZVZZIDOEHQR-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.55
Rot. Bonds6

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

4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide (PubChem CID 53135564) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide
PubChem CID53135564
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1)c1ccccc1
InChIInChI=1S/C26H25N3O3/c1-19(21-8-4-2-5-9-21)27-24(30)22-14-12-20(13-15-22)18-28-16-17-29(26(32)25(28)31)23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3,(H,27,30)
InChIKeyPIZZVZZIDOEHQR-UHFFFAOYSA-N
XLogP3.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.55
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-(3-methylbutyl)benzamide
CID 53135581
N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide
CID 53135565
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 43918790
5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077090
4-[(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 53135397
4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide
CID 46277163
N-[(2S)-butan-2-yl]-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 95092870
N-butan-2-yl-4-[(4-methyl-2,3-dioxopiperazin-1-yl)methyl]benzamide
CID 53135358
N-butan-2-yl-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 53135645
N-[(1R)-1-phenylethyl]-4-[[(2S,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]benzamide
CID 58612314
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide (CID 53135564) is 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1)c1ccccc1.
What is the InChIKey of 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide?
The InChIKey is PIZZVZZIDOEHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-19(21-8-4-2-5-9-21)27-24(30)22-14-12-20(13-15-22)18-28-16-17-29(26(32)25(28)31)23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3,(H,27,30).
What are the key properties of 4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide?
4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide has a molecular weight of 427.50 g/mol, XLogP of 3.55, 6 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-(1-phenylethyl)benzamide is sourced from PubChem (CID 53135564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).