4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide

C24H27ClN4O3 — CID 53030710

IUPAC4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1
InChIInChI=1S/C24H27ClN4O3/c1-17-7-8-19(25)15-21(17)26-24(32)27-11-9-20(10-12-27)29-14-13-28(22(30)23(29)31)16-18-5-3-2-4-6-18/h2-8,15,20H,9-14,16H2,1H3,(H,26,32)
InChIKeySZVHEUFSUISPMG-UHFFFAOYSA-N
MW454.96 g/mol
LogP3.52
Rot. Bonds4

About 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide

4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide (PubChem CID 53030710) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
PubChem CID53030710
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1
InChIInChI=1S/C24H27ClN4O3/c1-17-7-8-19(25)15-21(17)26-24(32)27-11-9-20(10-12-27)29-14-13-28(22(30)23(29)31)16-18-5-3-2-4-6-18/h2-8,15,20H,9-14,16H2,1H3,(H,26,32)
InChIKeySZVHEUFSUISPMG-UHFFFAOYSA-N
XLogP3.52
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.52
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-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 53098591
N-(2,3-dimethylphenyl)-4-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 53029113
N-(2,4-difluorophenyl)-4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 53094546
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide
CID 53098595
4-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 53029131
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 53098611
4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 53009375
N-(2,3-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098642
1-benzyl-4-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]piperazine-2,3-dione
CID 53053323
N-butan-2-yl-4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 46364615
ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate
CID 3754378
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide (CID 53030710) is 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1.
What is the InChIKey of 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is SZVHEUFSUISPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-17-7-8-19(25)15-21(17)26-24(32)27-11-9-20(10-12-27)29-14-13-28(22(30)23(29)31)16-18-5-3-2-4-6-18/h2-8,15,20H,9-14,16H2,1H3,(H,26,32).
What are the key properties of 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide?
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 454.96 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 53030710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).