1-(4-methylpiperidin-3-yl)azepane-2,7-dione

C12H20N2O2 — CID 63329712

IUPAC1-(4-methylpiperidin-3-yl)azepane-2,7-dione
SMILESCC1CCNCC1N1C(=O)CCCCC1=O
InChIInChI=1S/C12H20N2O2/c1-9-6-7-13-8-10(9)14-11(15)4-2-3-5-12(14)16/h9-10,13H,2-8H2,1H3
InChIKeyZUVADRIVPKXBGY-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds1

About 1-(4-methylpiperidin-3-yl)azepane-2,7-dione

1-(4-methylpiperidin-3-yl)azepane-2,7-dione (PubChem CID 63329712) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(4-methylpiperidin-3-yl)azepane-2,7-dione.

Molecular Properties

Compound Name1-(4-methylpiperidin-3-yl)azepane-2,7-dione
PubChem CID63329712
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(4-methylpiperidin-3-yl)azepane-2,7-dione
SMILESCC1CCNCC1N1C(=O)CCCCC1=O
InChIInChI=1S/C12H20N2O2/c1-9-6-7-13-8-10(9)14-11(15)4-2-3-5-12(14)16/h9-10,13H,2-8H2,1H3
InChIKeyZUVADRIVPKXBGY-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methylpiperidin-3-yl)azepane-2,7-dione?
The IUPAC name of 1-(4-methylpiperidin-3-yl)azepane-2,7-dione (CID 63329712) is 1-(4-methylpiperidin-3-yl)azepane-2,7-dione.
What is the SMILES notation for 1-(4-methylpiperidin-3-yl)azepane-2,7-dione?
The canonical SMILES for 1-(4-methylpiperidin-3-yl)azepane-2,7-dione is CC1CCNCC1N1C(=O)CCCCC1=O.
What is the InChIKey of 1-(4-methylpiperidin-3-yl)azepane-2,7-dione?
The InChIKey is ZUVADRIVPKXBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-6-7-13-8-10(9)14-11(15)4-2-3-5-12(14)16/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-(4-methylpiperidin-3-yl)azepane-2,7-dione?
1-(4-methylpiperidin-3-yl)azepane-2,7-dione has a molecular weight of 224.30 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-3-yl)azepane-2,7-dione is sourced from PubChem (CID 63329712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).