N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide

C18H33N3O4 — CID 54639751

IUPACN-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO
InChIInChI=1S/C18H33N3O4/c1-2-17(23)20-15-7-6-14(25-16(15)13-22)12-18(24)19-8-11-21-9-4-3-5-10-21/h14-16,22H,2-13H2,1H3,(H,19,24)(H,20,23)/t14-,15-,16-/m0/s1
InChIKeyFOYMHNRGVNUWHD-JYJNAYRXSA-N
MW355.48 g/mol
LogP0.41
Rot. Bonds8

About N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide

N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide (PubChem CID 54639751) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide
PubChem CID54639751
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC NameN-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO
InChIInChI=1S/C18H33N3O4/c1-2-17(23)20-15-7-6-14(25-16(15)13-22)12-18(24)19-8-11-21-9-4-3-5-10-21/h14-16,22H,2-13H2,1H3,(H,19,24)(H,20,23)/t14-,15-,16-/m0/s1
InChIKeyFOYMHNRGVNUWHD-JYJNAYRXSA-N
XLogP0.41
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide
CID 54639755
methyl 2-[(2R,5S,6S)-6-(hydroxymethyl)-5-(propanoylamino)oxan-2-yl]acetate
CID 54639335
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]oxan-2-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 54640752
N-[(2S,3R,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide
CID 54641179
N-[(2S,3S,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
CID 54644741
2-[(2S,5S,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide
CID 54641706
2-[(2S,5R,6S)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-(2-methoxyethyl)acetamide
CID 54638382
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide
CID 54639482
N-[(2S,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
CID 54644785
N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]acetamide
CID 54639387
N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide
CID 54639295

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide?
The IUPAC name of N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide (CID 54639751) is N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide.
What is the SMILES notation for N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide?
The canonical SMILES for N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide is CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO.
What is the InChIKey of N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide?
The InChIKey is FOYMHNRGVNUWHD-JYJNAYRXSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-2-17(23)20-15-7-6-14(25-16(15)13-22)12-18(24)19-8-11-21-9-4-3-5-10-21/h14-16,22H,2-13H2,1H3,(H,19,24)(H,20,23)/t14-,15-,16-/m0/s1.
What are the key properties of N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide?
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide is sourced from PubChem (CID 54639751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).