2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide

C19H34N4O4 — CID 54639990

IUPAC2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(C)CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO
InChIInChI=1S/C19H34N4O4/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/h6-7,15-17,24H,3-5,8-14H2,1-2H3,(H,20,25)(H,21,26)/t15-,16-,17+/m0/s1
InChIKeyHAYHGVRNUREYAI-YESZJQIVSA-N
MW382.51 g/mol
LogP-0.66
Rot. Bonds9

About 2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide

2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 54639990) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID54639990
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC Name2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(C)CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO
InChIInChI=1S/C19H34N4O4/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/h6-7,15-17,24H,3-5,8-14H2,1-2H3,(H,20,25)(H,21,26)/t15-,16-,17+/m0/s1
InChIKeyHAYHGVRNUREYAI-YESZJQIVSA-N
XLogP-0.66
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 54639990) is 2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide is CN(C)CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO.
What is the InChIKey of 2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is HAYHGVRNUREYAI-YESZJQIVSA-N. The full InChI is InChI=1S/C19H34N4O4/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/h6-7,15-17,24H,3-5,8-14H2,1-2H3,(H,20,25)(H,21,26)/t15-,16-,17+/m0/s1.
What are the key properties of 2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide?
2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 382.51 g/mol, XLogP of -0.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 54639990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).