benzyl carbamate;piperidine-2,6-dione

C13H16N2O4 — CID 174491425

IUPACbenzyl carbamate;piperidine-2,6-dione
SMILESNC(=O)OCc1ccccc1.O=C1CCCC(=O)N1
InChIInChI=1S/C8H9NO2.C5H7NO2/c9-8(10)11-6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6-4/h1-5H,6H2,(H2,9,10);1-3H2,(H,6,7,8)
InChIKeyQKLOTCUNBBLCLI-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.10
Rot. Bonds2

About benzyl carbamate;piperidine-2,6-dione

benzyl carbamate;piperidine-2,6-dione (PubChem CID 174491425) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is benzyl carbamate;piperidine-2,6-dione.

Molecular Properties

Compound Namebenzyl carbamate;piperidine-2,6-dione
PubChem CID174491425
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namebenzyl carbamate;piperidine-2,6-dione
SMILESNC(=O)OCc1ccccc1.O=C1CCCC(=O)N1
InChIInChI=1S/C8H9NO2.C5H7NO2/c9-8(10)11-6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6-4/h1-5H,6H2,(H2,9,10);1-3H2,(H,6,7,8)
InChIKeyQKLOTCUNBBLCLI-UHFFFAOYSA-N
XLogP1.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
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 benzyl carbamate;piperidine-2,6-dione?
The IUPAC name of benzyl carbamate;piperidine-2,6-dione (CID 174491425) is benzyl carbamate;piperidine-2,6-dione.
What is the SMILES notation for benzyl carbamate;piperidine-2,6-dione?
The canonical SMILES for benzyl carbamate;piperidine-2,6-dione is NC(=O)OCc1ccccc1.O=C1CCCC(=O)N1.
What is the InChIKey of benzyl carbamate;piperidine-2,6-dione?
The InChIKey is QKLOTCUNBBLCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C5H7NO2/c9-8(10)11-6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6-4/h1-5H,6H2,(H2,9,10);1-3H2,(H,6,7,8).
What are the key properties of benzyl carbamate;piperidine-2,6-dione?
benzyl carbamate;piperidine-2,6-dione has a molecular weight of 264.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;piperidine-2,6-dione is sourced from PubChem (CID 174491425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).