N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide

C20H23N3O3 — CID 108522705

IUPACN'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-14-5-10-18(24)17(13-14)22-20(26)19(25)21-15-6-8-16(9-7-15)23-11-3-2-4-12-23/h5-10,13,24H,2-4,11-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyHIVBVXHOHZGERU-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.27
Rot. Bonds3

About N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide

N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide (PubChem CID 108522705) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
PubChem CID108522705
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-14-5-10-18(24)17(13-14)22-20(26)19(25)21-15-6-8-16(9-7-15)23-11-3-2-4-12-23/h5-10,13,24H,2-4,11-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyHIVBVXHOHZGERU-UHFFFAOYSA-N
XLogP3.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986873
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
1-(2-bromo-4-methylphenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992513
N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108522782
N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108522806
N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108527766
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981349
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108514438
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
N'-(2,5-dichlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987617

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide?
The IUPAC name of N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide (CID 108522705) is N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide.
What is the SMILES notation for N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide?
The canonical SMILES for N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide is Cc1ccc(O)c(NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide?
The InChIKey is HIVBVXHOHZGERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-5-10-18(24)17(13-14)22-20(26)19(25)21-15-6-8-16(9-7-15)23-11-3-2-4-12-23/h5-10,13,24H,2-4,11-12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide?
N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide has a molecular weight of 353.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108522705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).