N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide

C24H31N3O2 — CID 16886959

IUPACN'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-2-19-8-10-22(11-9-19)26-24(29)23(28)25-18-21-13-16-27(17-14-21)15-12-20-6-4-3-5-7-20/h3-11,21H,2,12-18H2,1H3,(H,25,28)(H,26,29)
InChIKeyMSQZCSRSYKXELG-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.26
Rot. Bonds7

About N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide

N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16886959) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16886959
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-2-19-8-10-22(11-9-19)26-24(29)23(28)25-18-21-13-16-27(17-14-21)15-12-20-6-4-3-5-7-20/h3-11,21H,2,12-18H2,1H3,(H,25,28)(H,26,29)
InChIKeyMSQZCSRSYKXELG-UHFFFAOYSA-N
XLogP3.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 16886993
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 16886954
N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886985
N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886956
N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
N'-(2,3-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886973
N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide
CID 7471195
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
CID 121020500

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide (CID 16886959) is N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide is CCc1ccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is MSQZCSRSYKXELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-19-8-10-22(11-9-19)26-24(29)23(28)25-18-21-13-16-27(17-14-21)15-12-20-6-4-3-5-7-20/h3-11,21H,2,12-18H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 393.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16886959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).