(3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione

C12H14N2O3 — CID 39221193

IUPAC(3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccccc1N1C(=O)CC[C@H](N)C1=O
InChIInChI=1S/C12H14N2O3/c1-17-10-5-3-2-4-9(10)14-11(15)7-6-8(13)12(14)16/h2-5,8H,6-7,13H2,1H3/t8-/m0/s1
InChIKeyXNUQRZYPLIKVSY-QMMMGPOBSA-N
MW234.25 g/mol
LogP0.68
Rot. Bonds2

About (3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione

(3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione (PubChem CID 39221193) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione
PubChem CID39221193
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccccc1N1C(=O)CC[C@H](N)C1=O
InChIInChI=1S/C12H14N2O3/c1-17-10-5-3-2-4-9(10)14-11(15)7-6-8(13)12(14)16/h2-5,8H,6-7,13H2,1H3/t8-/m0/s1
InChIKeyXNUQRZYPLIKVSY-QMMMGPOBSA-N
XLogP0.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione?
The IUPAC name of (3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione (CID 39221193) is (3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione is COc1ccccc1N1C(=O)CC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione?
The InChIKey is XNUQRZYPLIKVSY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-10-5-3-2-4-9(10)14-11(15)7-6-8(13)12(14)16/h2-5,8H,6-7,13H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione?
(3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione has a molecular weight of 234.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 39221193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).