(3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one

C13H18N2O2 — CID 59438471

IUPAC(3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one
SMILESCO[C@H]1C[C@@](N)(c2ccccc2)CN(C)C1=O
InChIInChI=1S/C13H18N2O2/c1-15-9-13(14,8-11(17-2)12(15)16)10-6-4-3-5-7-10/h3-7,11H,8-9,14H2,1-2H3/t11-,13-/m0/s1
InChIKeyLSXSFXAOOBYAQZ-AAEUAGOBSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds2

About (3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one

(3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one (PubChem CID 59438471) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one
PubChem CID59438471
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one
SMILESCO[C@H]1C[C@@](N)(c2ccccc2)CN(C)C1=O
InChIInChI=1S/C13H18N2O2/c1-15-9-13(14,8-11(17-2)12(15)16)10-6-4-3-5-7-10/h3-7,11H,8-9,14H2,1-2H3/t11-,13-/m0/s1
InChIKeyLSXSFXAOOBYAQZ-AAEUAGOBSA-N
XLogP0.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one?
The IUPAC name of (3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one (CID 59438471) is (3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one.
What is the SMILES notation for (3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one?
The canonical SMILES for (3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one is CO[C@H]1C[C@@](N)(c2ccccc2)CN(C)C1=O.
What is the InChIKey of (3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one?
The InChIKey is LSXSFXAOOBYAQZ-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-9-13(14,8-11(17-2)12(15)16)10-6-4-3-5-7-10/h3-7,11H,8-9,14H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one?
(3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one is sourced from PubChem (CID 59438471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).