N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide

C23H29N3O3 — CID 16886956

IUPACN'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-29-21-9-5-8-20(16-21)25-23(28)22(27)24-17-19-11-14-26(15-12-19)13-10-18-6-3-2-4-7-18/h2-9,16,19H,10-15,17H2,1H3,(H,24,27)(H,25,28)
InChIKeyIAOGPWLNJIERFE-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.70
Rot. Bonds7

About N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide

N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16886956) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16886956
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-29-21-9-5-8-20(16-21)25-23(28)22(27)24-17-19-11-14-26(15-12-19)13-10-18-6-3-2-4-7-18/h2-9,16,19H,10-15,17H2,1H3,(H,24,27)(H,25,28)
InChIKeyIAOGPWLNJIERFE-UHFFFAOYSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886985
N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886959
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'-(2,3-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886973
1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111086827
N-[(1-benzylpiperidin-4-yl)methyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 16886848
N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886569
3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 16886734

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide (CID 16886956) is N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide is COc1cccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is IAOGPWLNJIERFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-21-9-5-8-20(16-21)25-23(28)22(27)24-17-19-11-14-26(15-12-19)13-10-18-6-3-2-4-7-18/h2-9,16,19H,10-15,17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide?
N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 395.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16886956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).