N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide

C17H25N3O2 — CID 108505781

IUPACN'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
SMILESCN1CCC(N(C)C(=O)C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-19-12-9-15(10-13-19)20(2)17(22)16(21)18-11-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,18,21)
InChIKeyICOWVJNMRMHERO-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.90
Rot. Bonds4

About N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide

N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide (PubChem CID 108505781) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
PubChem CID108505781
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
SMILESCN1CCC(N(C)C(=O)C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-19-12-9-15(10-13-19)20(2)17(22)16(21)18-11-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,18,21)
InChIKeyICOWVJNMRMHERO-UHFFFAOYSA-N
XLogP0.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.90
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

N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108506051
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)-2-sulfanylideneacetamide
CID 2974787
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507216
N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507327
2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507177
1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea
CID 68749941
N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 104547292
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide (CID 108505781) is N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide is CN1CCC(N(C)C(=O)C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide?
The InChIKey is ICOWVJNMRMHERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-12-9-15(10-13-19)20(2)17(22)16(21)18-11-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,18,21).
What are the key properties of N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide?
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide has a molecular weight of 303.41 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 108505781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).