acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol

C8H18N2O3 — CID 168949021

IUPACacetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol
SMILESCC(N)=O.OC[C@@H]1C[C@H](O)CCN1
InChIInChI=1S/C6H13NO2.C2H5NO/c8-4-5-3-6(9)1-2-7-5;1-2(3)4/h5-9H,1-4H2;1H3,(H2,3,4)/t5-,6+;/m0./s1
InChIKeyPSBCOIJIIMPASQ-RIHPBJNCSA-N
MW190.24 g/mol
LogP-1.42
Rot. Bonds1

About acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol

acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 168949021) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Nameacetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol
PubChem CID168949021
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Nameacetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol
SMILESCC(N)=O.OC[C@@H]1C[C@H](O)CCN1
InChIInChI=1S/C6H13NO2.C2H5NO/c8-4-5-3-6(9)1-2-7-5;1-2(3)4/h5-9H,1-4H2;1H3,(H2,3,4)/t5-,6+;/m0./s1
InChIKeyPSBCOIJIIMPASQ-RIHPBJNCSA-N
XLogP-1.42
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2R,4R)-2-ethylpiperidin-4-ol
CID 82651055
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
2-(6-hydroxyhexyl)piperidin-4-ol
CID 57118356
1-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]ethanone
CID 167202980
(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid
CID 66735651
acetamide;piperazine
CID 18321731
acetamide;piperazine
CID 68716913
2-methylprop-2-enoic acid;piperidin-2-ylmethanol
CID 70536711
1-(azetidin-2-yl)propan-2-one
CID 91315786
ethyl acetate;piperidin-4-ol;hydrochloride
CID 174311482
[(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol
CID 67315088

Frequently Asked Questions

What is the IUPAC name of acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol (CID 168949021) is acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol is CC(N)=O.OC[C@@H]1C[C@H](O)CCN1.
What is the InChIKey of acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is PSBCOIJIIMPASQ-RIHPBJNCSA-N. The full InChI is InChI=1S/C6H13NO2.C2H5NO/c8-4-5-3-6(9)1-2-7-5;1-2(3)4/h5-9H,1-4H2;1H3,(H2,3,4)/t5-,6+;/m0./s1.
What are the key properties of acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol?
acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 190.24 g/mol, XLogP of -1.42, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;(2S,4R)-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 168949021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).