1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione

C13H21NO2 — CID 86093433

IUPAC1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H21NO2/c15-12(11-7-3-1-4-8-11)13(16)14-9-5-2-6-10-14/h11H,1-10H2
InChIKeyKXBQDOLWJJAAJP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.15
Rot. Bonds2

About 1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione

1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione (PubChem CID 86093433) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione
PubChem CID86093433
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H21NO2/c15-12(11-7-3-1-4-8-11)13(16)14-9-5-2-6-10-14/h11H,1-10H2
InChIKeyKXBQDOLWJJAAJP-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione (CID 86093433) is 1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is KXBQDOLWJJAAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-12(11-7-3-1-4-8-11)13(16)14-9-5-2-6-10-14/h11H,1-10H2.
What are the key properties of 1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione?
1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 223.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 86093433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).