N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide

C8H16N2O3 — CID 68571558

IUPACN-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1[C@H](O)CN(C)C[C@@H]1O
InChIInChI=1S/C8H16N2O3/c1-5(11)9-8-6(12)3-10(2)4-7(8)13/h6-8,12-13H,3-4H2,1-2H3,(H,9,11)/t6-,7+,8?
InChIKeyNKZOGFXARGEDBR-DHBOJHSNSA-N
MW188.23 g/mol
LogP-1.84
Rot. Bonds1

About N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide

N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide (PubChem CID 68571558) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide
PubChem CID68571558
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1[C@H](O)CN(C)C[C@@H]1O
InChIInChI=1S/C8H16N2O3/c1-5(11)9-8-6(12)3-10(2)4-7(8)13/h6-8,12-13H,3-4H2,1-2H3,(H,9,11)/t6-,7+,8?
InChIKeyNKZOGFXARGEDBR-DHBOJHSNSA-N
XLogP-1.84
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide (CID 68571558) is N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide is CC(=O)NC1[C@H](O)CN(C)C[C@@H]1O.
What is the InChIKey of N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide?
The InChIKey is NKZOGFXARGEDBR-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(11)9-8-6(12)3-10(2)4-7(8)13/h6-8,12-13H,3-4H2,1-2H3,(H,9,11)/t6-,7+,8?.
What are the key properties of N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide?
N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide has a molecular weight of 188.23 g/mol, XLogP of -1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 68571558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).