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

C25H33N3O2 — CID 16886993

IUPACN-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-19(2)22-8-10-23(11-9-22)27-25(30)24(29)26-18-21-13-16-28(17-14-21)15-12-20-6-4-3-5-7-20/h3-11,19,21H,12-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyXYNNFBWPNYMVIJ-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.82
Rot. Bonds7

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

N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 16886993) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID16886993
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-19(2)22-8-10-23(11-9-22)27-25(30)24(29)26-18-21-13-16-28(17-14-21)15-12-20-6-4-3-5-7-20/h3-11,19,21H,12-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyXYNNFBWPNYMVIJ-UHFFFAOYSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.82
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'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886959
N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886985
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 16886954
N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886956
N'-(2,3-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886973
N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea
CID 72879483
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 91814160
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107
N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 71786344
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
CID 121020500

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide (CID 16886993) is N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide is CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is XYNNFBWPNYMVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-19(2)22-8-10-23(11-9-22)27-25(30)24(29)26-18-21-13-16-28(17-14-21)15-12-20-6-4-3-5-7-20/h3-11,19,21H,12-18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide?
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 407.56 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 16886993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).