6-(2-oxopropyl)-6-pentylpiperidin-2-one

C13H23NO2 — CID 10585296

IUPAC6-(2-oxopropyl)-6-pentylpiperidin-2-one
SMILESCCCCCC1(CC(C)=O)CCCC(=O)N1
InChIInChI=1S/C13H23NO2/c1-3-4-5-8-13(10-11(2)15)9-6-7-12(16)14-13/h3-10H2,1-2H3,(H,14,16)
InChIKeyCNUUHKVLRVPYKE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.58
Rot. Bonds6

About 6-(2-oxopropyl)-6-pentylpiperidin-2-one

6-(2-oxopropyl)-6-pentylpiperidin-2-one (PubChem CID 10585296) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 6-(2-oxopropyl)-6-pentylpiperidin-2-one.

Molecular Properties

Compound Name6-(2-oxopropyl)-6-pentylpiperidin-2-one
PubChem CID10585296
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name6-(2-oxopropyl)-6-pentylpiperidin-2-one
SMILESCCCCCC1(CC(C)=O)CCCC(=O)N1
InChIInChI=1S/C13H23NO2/c1-3-4-5-8-13(10-11(2)15)9-6-7-12(16)14-13/h3-10H2,1-2H3,(H,14,16)
InChIKeyCNUUHKVLRVPYKE-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxopropyl)-6-pentylpiperidin-2-one?
The IUPAC name of 6-(2-oxopropyl)-6-pentylpiperidin-2-one (CID 10585296) is 6-(2-oxopropyl)-6-pentylpiperidin-2-one.
What is the SMILES notation for 6-(2-oxopropyl)-6-pentylpiperidin-2-one?
The canonical SMILES for 6-(2-oxopropyl)-6-pentylpiperidin-2-one is CCCCCC1(CC(C)=O)CCCC(=O)N1.
What is the InChIKey of 6-(2-oxopropyl)-6-pentylpiperidin-2-one?
The InChIKey is CNUUHKVLRVPYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-4-5-8-13(10-11(2)15)9-6-7-12(16)14-13/h3-10H2,1-2H3,(H,14,16).
What are the key properties of 6-(2-oxopropyl)-6-pentylpiperidin-2-one?
6-(2-oxopropyl)-6-pentylpiperidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxopropyl)-6-pentylpiperidin-2-one is sourced from PubChem (CID 10585296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).