acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide

C16H24N2O6 — CID 154908073

IUPACacetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide
SMILESCC(=O)O.COc1cccc(OCC(=O)N[C@H]2CNCC[C@H]2O)c1
InChIInChI=1S/C14H20N2O4.C2H4O2/c1-19-10-3-2-4-11(7-10)20-9-14(18)16-12-8-15-6-5-13(12)17;1-2(3)4/h2-4,7,12-13,15,17H,5-6,8-9H2,1H3,(H,16,18);1H3,(H,3,4)/t12-,13+;/m0./s1
InChIKeyWJODBXJUNLKLIM-JHEYCYPBSA-N
MW340.38 g/mol
LogP0.00
Rot. Bonds5

About acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide

acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 154908073) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound Nameacetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide
PubChem CID154908073
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Nameacetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide
SMILESCC(=O)O.COc1cccc(OCC(=O)N[C@H]2CNCC[C@H]2O)c1
InChIInChI=1S/C14H20N2O4.C2H4O2/c1-19-10-3-2-4-11(7-10)20-9-14(18)16-12-8-15-6-5-13(12)17;1-2(3)4/h2-4,7,12-13,15,17H,5-6,8-9H2,1H3,(H,16,18);1H3,(H,3,4)/t12-,13+;/m0./s1
InChIKeyWJODBXJUNLKLIM-JHEYCYPBSA-N
XLogP0.00
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide (CID 154908073) is acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide is CC(=O)O.COc1cccc(OCC(=O)N[C@H]2CNCC[C@H]2O)c1.
What is the InChIKey of acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is WJODBXJUNLKLIM-JHEYCYPBSA-N. The full InChI is InChI=1S/C14H20N2O4.C2H4O2/c1-19-10-3-2-4-11(7-10)20-9-14(18)16-12-8-15-6-5-13(12)17;1-2(3)4/h2-4,7,12-13,15,17H,5-6,8-9H2,1H3,(H,16,18);1H3,(H,3,4)/t12-,13+;/m0./s1.
What are the key properties of acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide?
acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 340.38 g/mol, XLogP of 0.00, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 154908073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).