N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide

C17H24N4O3 — CID 121020500

IUPACN-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H24N4O3/c1-20(2)17(24)21-10-8-13(9-11-21)12-18-15(22)16(23)19-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyFINNVSQYUZZCJE-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.13
Rot. Bonds3

About N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide

N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide (PubChem CID 121020500) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
PubChem CID121020500
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H24N4O3/c1-20(2)17(24)21-10-8-13(9-11-21)12-18-15(22)16(23)19-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyFINNVSQYUZZCJE-UHFFFAOYSA-N
XLogP1.13
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide
CID 119103247
N'-phenyl-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]oxamide
CID 91814292
N-[[1-(4-nitrobenzoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
CID 3126779
1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 55701826
N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886569
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 16886993
4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
N-[(1-benzylpiperidin-4-yl)methyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 16886848
N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886959
N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887250
N'-(3-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886583
N,N-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxamide
CID 83206240

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide?
The IUPAC name of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide (CID 121020500) is N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide.
What is the SMILES notation for N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide?
The canonical SMILES for N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide is CN(C)C(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide?
The InChIKey is FINNVSQYUZZCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20(2)17(24)21-10-8-13(9-11-21)12-18-15(22)16(23)19-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide?
N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide has a molecular weight of 332.40 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide is sourced from PubChem (CID 121020500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).