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

C21H25N3O3 — CID 108987256

IUPACN'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H25N3O3/c1-15-11-13-24(14-12-15)18-7-3-16(4-8-18)22-20(25)21(26)23-17-5-9-19(27-2)10-6-17/h3-10,15H,11-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyJFWCDAFUNVOZAB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.51
Rot. Bonds4

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

N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide (PubChem CID 108987256) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
PubChem CID108987256
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H25N3O3/c1-15-11-13-24(14-12-15)18-7-3-16(4-8-18)22-20(25)21(26)23-17-5-9-19(27-2)10-6-17/h3-10,15H,11-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyJFWCDAFUNVOZAB-UHFFFAOYSA-N
XLogP3.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
2-[2-(4-methoxyphenoxy)ethylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109005273
N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987647
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986740
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
CID 108986432
1-(4-methoxyphenyl)-2-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111805905
2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
CID 108984409
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108992539
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56555956

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
The IUPAC name of N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide (CID 108987256) is N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide is COc1ccc(NC(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
The InChIKey is JFWCDAFUNVOZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-11-13-24(14-12-15)18-7-3-16(4-8-18)22-20(25)21(26)23-17-5-9-19(27-2)10-6-17/h3-10,15H,11-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide has a molecular weight of 367.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 108987256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).