2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide

C19H36N4O4 — CID 53382649

IUPAC2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(C)CC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO
InChIInChI=1S/C19H36N4O4/c1-22(2)13-19(26)21-16-7-6-15(27-17(16)14-24)12-18(25)20-8-11-23-9-4-3-5-10-23/h15-17,24H,3-14H2,1-2H3,(H,20,25)(H,21,26)/t15-,16+,17+/m0/s1
InChIKeyMOCCGPTZIRQRMD-GVDBMIGSSA-N
MW384.52 g/mol
LogP-0.44
Rot. Bonds9

About 2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide

2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 53382649) has the molecular formula C19H36N4O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID53382649
Molecular FormulaC19H36N4O4
Molecular Weight384.52 g/mol
Exact Mass384.27
IUPAC Name2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(C)CC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO
InChIInChI=1S/C19H36N4O4/c1-22(2)13-19(26)21-16-7-6-15(27-17(16)14-24)12-18(25)20-8-11-23-9-4-3-5-10-23/h15-17,24H,3-14H2,1-2H3,(H,20,25)(H,21,26)/t15-,16+,17+/m0/s1
InChIKeyMOCCGPTZIRQRMD-GVDBMIGSSA-N
XLogP-0.44
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 53382649) is 2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide is CN(C)CC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO.
What is the InChIKey of 2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is MOCCGPTZIRQRMD-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H36N4O4/c1-22(2)13-19(26)21-16-7-6-15(27-17(16)14-24)12-18(25)20-8-11-23-9-4-3-5-10-23/h15-17,24H,3-14H2,1-2H3,(H,20,25)(H,21,26)/t15-,16+,17+/m0/s1.
What are the key properties of 2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 384.52 g/mol, XLogP of -0.44, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 53382649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).