1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione

C11H18N2O3 — CID 62934661

IUPAC1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione
SMILESCO[C@H]1CNCC1N1C(=O)CC(C)CC1=O
InChIInChI=1S/C11H18N2O3/c1-7-3-10(14)13(11(15)4-7)8-5-12-6-9(8)16-2/h7-9,12H,3-6H2,1-2H3/t8?,9-/m0/s1
InChIKeyJBHXAMMYWTZKBQ-GKAPJAKFSA-N
MW226.28 g/mol
LogP-0.24
Rot. Bonds2

About 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione

1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione (PubChem CID 62934661) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione
PubChem CID62934661
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione
SMILESCO[C@H]1CNCC1N1C(=O)CC(C)CC1=O
InChIInChI=1S/C11H18N2O3/c1-7-3-10(14)13(11(15)4-7)8-5-12-6-9(8)16-2/h7-9,12H,3-6H2,1-2H3/t8?,9-/m0/s1
InChIKeyJBHXAMMYWTZKBQ-GKAPJAKFSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.24
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 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione (CID 62934661) is 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione is CO[C@H]1CNCC1N1C(=O)CC(C)CC1=O.
What is the InChIKey of 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione?
The InChIKey is JBHXAMMYWTZKBQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7-3-10(14)13(11(15)4-7)8-5-12-6-9(8)16-2/h7-9,12H,3-6H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione?
1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione has a molecular weight of 226.28 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 62934661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).