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

C17H25N3O2 — CID 16886539

IUPACN'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
SMILESCN1CCC(CNC(=O)C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-20-11-8-15(9-12-20)13-19-17(22)16(21)18-10-7-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyIAEKXXJZYNULGY-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.80
Rot. Bonds5

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

N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide (PubChem CID 16886539) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
PubChem CID16886539
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
SMILESCN1CCC(CNC(=O)C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-20-11-8-15(9-12-20)13-19-17(22)16(21)18-10-7-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyIAEKXXJZYNULGY-UHFFFAOYSA-N
XLogP0.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.80
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

2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
CID 108505781
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)-2-sulfanylideneacetamide
CID 2974787
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
CID 126444584
N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
2-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199289
N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886985
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263594
N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886959

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide (CID 16886539) is N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide is CN1CCC(CNC(=O)C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide?
The InChIKey is IAEKXXJZYNULGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-20-11-8-15(9-12-20)13-19-17(22)16(21)18-10-7-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide?
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide has a molecular weight of 303.41 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 16886539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).