N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide

C23H29N3O2 — CID 108986246

IUPACN'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
SMILESCC1CCN(c2ccc(NC(=O)C(=O)NCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-18-13-16-26(17-14-18)21-11-9-20(10-12-21)25-23(28)22(27)24-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,18H,5,8,13-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyOXXFAXHVWVKIEP-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.61
Rot. Bonds6

About N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide

N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide (PubChem CID 108986246) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
PubChem CID108986246
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
SMILESCC1CCN(c2ccc(NC(=O)C(=O)NCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-18-13-16-26(17-14-18)21-11-9-20(10-12-21)25-23(28)22(27)24-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,18H,5,8,13-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyOXXFAXHVWVKIEP-UHFFFAOYSA-N
XLogP3.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
CID 108986432
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204
1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108989048
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108984207
N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108961621
2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113161313
N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-N'-(4-ethylphenyl)oxamide
CID 16891766
N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-N'-(4-methylphenyl)oxamide
CID 16891728
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide (CID 108986246) is N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide is CC1CCN(c2ccc(NC(=O)C(=O)NCCCc3ccccc3)cc2)CC1.
What is the InChIKey of N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide?
The InChIKey is OXXFAXHVWVKIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-13-16-26(17-14-18)21-11-9-20(10-12-21)25-23(28)22(27)24-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,18H,5,8,13-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide?
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide has a molecular weight of 379.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 108986246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).