N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide

C20H23N3O2 — CID 108520940

IUPACN'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide
SMILESCN(C(=O)C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-22(17-8-4-2-5-9-17)20(25)19(24)21-16-10-12-18(13-11-16)23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,21,24)
InChIKeyDCZIHSCUJUMBCA-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.28
Rot. Bonds3

About N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide

N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide (PubChem CID 108520940) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide
PubChem CID108520940
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide
SMILESCN(C(=O)C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-22(17-8-4-2-5-9-17)20(25)19(24)21-16-10-12-18(13-11-16)23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,21,24)
InChIKeyDCZIHSCUJUMBCA-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953212
1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981003
1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea
CID 108991537
N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986203
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
N'-methyl-N'-phenyl-N-(4-sulfamoylphenyl)oxamide
CID 108508706
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-phenyloxamide
CID 108520938
N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987317

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide?
The IUPAC name of N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide (CID 108520940) is N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide.
What is the SMILES notation for N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide?
The canonical SMILES for N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide is CN(C(=O)C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide?
The InChIKey is DCZIHSCUJUMBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22(17-8-4-2-5-9-17)20(25)19(24)21-16-10-12-18(13-11-16)23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,21,24).
What are the key properties of N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide?
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide has a molecular weight of 337.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108520940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).