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

C21H25N3O2 — CID 108986740

IUPACN'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C21H25N3O2/c1-15-10-12-24(13-11-15)19-8-6-17(7-9-19)22-20(25)21(26)23-18-5-3-4-16(2)14-18/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOTPMCPSLPPPDIY-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.81
Rot. Bonds3

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

N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide (PubChem CID 108986740) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
PubChem CID108986740
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C21H25N3O2/c1-15-10-12-24(13-11-15)19-8-6-17(7-9-19)22-20(25)21(26)23-18-5-3-4-16(2)14-18/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOTPMCPSLPPPDIY-UHFFFAOYSA-N
XLogP3.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.81
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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987647
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide
CID 48748137
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
CID 108986432
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 60600795
2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
CID 108984409
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
CID 108986246
(Z)-2-cyano-N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)prop-2-enamide
CID 108858500

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
The IUPAC name of N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide (CID 108986740) is N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide is Cc1cccc(NC(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1.
What is the InChIKey of N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
The InChIKey is OTPMCPSLPPPDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-10-12-24(13-11-15)19-8-6-17(7-9-19)22-20(25)21(26)23-18-5-3-4-16(2)14-18/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide has a molecular weight of 351.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 108986740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).