2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide

C16H28N4O2 — CID 118775161

IUPAC2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide
SMILESCOCCn1cncc1CNC(=O)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C16H28N4O2/c1-13-5-4-6-14(2)20(13)11-16(21)18-10-15-9-17-12-19(15)7-8-22-3/h9,12-14H,4-8,10-11H2,1-3H3,(H,18,21)/t13-,14+
InChIKeyHEAILOLIYTXKTQ-OKILXGFUSA-N
MW308.43 g/mol
LogP1.41
Rot. Bonds7

About 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide (PubChem CID 118775161) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide
PubChem CID118775161
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide
SMILESCOCCn1cncc1CNC(=O)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C16H28N4O2/c1-13-5-4-6-14(2)20(13)11-16(21)18-10-15-9-17-12-19(15)7-8-22-3/h9,12-14H,4-8,10-11H2,1-3H3,(H,18,21)/t13-,14+
InChIKeyHEAILOLIYTXKTQ-OKILXGFUSA-N
XLogP1.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide (CID 118775161) is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide is COCCn1cncc1CNC(=O)CN1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide?
The InChIKey is HEAILOLIYTXKTQ-OKILXGFUSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-13-5-4-6-14(2)20(13)11-16(21)18-10-15-9-17-12-19(15)7-8-22-3/h9,12-14H,4-8,10-11H2,1-3H3,(H,18,21)/t13-,14+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide?
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]acetamide is sourced from PubChem (CID 118775161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).