2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide

C24H34N2O2S — CID 134277904

IUPAC2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC1(CC)CC(C)N(C)C(OCC(=O)N(Cc2cccs2)c2ccccc2)C1
InChIInChI=1S/C24H34N2O2S/c1-5-24(6-2)15-19(3)25(4)23(16-24)28-18-22(27)26(17-21-13-10-14-29-21)20-11-8-7-9-12-20/h7-14,19,23H,5-6,15-18H2,1-4H3
InChIKeyVJKRTQJKVJUCNU-UHFFFAOYSA-N
MW414.62 g/mol
LogP5.54
Rot. Bonds8

About 2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide

2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 134277904) has the molecular formula C24H34N2O2S and a molecular weight of 414.62 g/mol. Its IUPAC name is 2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID134277904
Molecular FormulaC24H34N2O2S
Molecular Weight414.62 g/mol
Exact Mass414.23
IUPAC Name2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC1(CC)CC(C)N(C)C(OCC(=O)N(Cc2cccs2)c2ccccc2)C1
InChIInChI=1S/C24H34N2O2S/c1-5-24(6-2)15-19(3)25(4)23(16-24)28-18-22(27)26(17-21-13-10-14-29-21)20-11-8-7-9-12-20/h7-14,19,23H,5-6,15-18H2,1-4H3
InChIKeyVJKRTQJKVJUCNU-UHFFFAOYSA-N
XLogP5.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide (CID 134277904) is 2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide is CCC1(CC)CC(C)N(C)C(OCC(=O)N(Cc2cccs2)c2ccccc2)C1.
What is the InChIKey of 2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VJKRTQJKVJUCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2S/c1-5-24(6-2)15-19(3)25(4)23(16-24)28-18-22(27)26(17-21-13-10-14-29-21)20-11-8-7-9-12-20/h7-14,19,23H,5-6,15-18H2,1-4H3.
What are the key properties of 2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 414.62 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-1,6-dimethylpiperidin-2-yl)oxy-N-phenyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 134277904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).