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

C19H34N4O4 — CID 53382633

IUPAC2-[(2S,3R,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-GVDBMIGSSA-N
MW382.51 g/mol
LogP-0.66
Rot. Bonds9

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

2-[(2S,3R,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 53382633) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[(2S,3R,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,3R,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID53382633
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC Name2-[(2S,3R,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-GVDBMIGSSA-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,3R,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide with MolForge

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Related Compounds

methyl 2-[(2S,3R,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 53382593
1-cyclopentyl-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]urea
CID 53382645
N-cyclohexyl-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[oxo(propylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
CID 53382650
1-cyclohexyl-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]urea
CID 54638231
1-cyclohexyl-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]urea
CID 54638234
1-cyclohexyl-3-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]urea
CID 54638235
2-[(2S,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
CID 54639990
1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
CID 54640068
1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
CID 54640070
N-cyclohexyl-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
CID 54640380
N-cyclohexyl-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
CID 54640384
1-cyclohexyl-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
CID 54638232

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,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,3R,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 53382633) is 2-[(2S,3R,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,3R,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,3R,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,3R,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-GVDBMIGSSA-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,3R,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)acetamide?
2-[(2S,3R,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,3R,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 53382633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).