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

C13H23NO2 — CID 11138811

IUPAC(6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one
SMILESCCCCC[C@]1(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)/t13-/m1/s1
InChIKeyCNUUHKVLRVPYKE-CYBMUJFWSA-N
MW225.33 g/mol
LogP2.58
Rot. Bonds6

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

(6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one (PubChem CID 11138811) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one.

Molecular Properties

Compound Name(6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one
PubChem CID11138811
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one
SMILESCCCCC[C@]1(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)/t13-/m1/s1
InChIKeyCNUUHKVLRVPYKE-CYBMUJFWSA-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 (6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one?
The IUPAC name of (6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one (CID 11138811) is (6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one.
What is the SMILES notation for (6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one?
The canonical SMILES for (6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one is CCCCC[C@]1(CC(C)=O)CCCC(=O)N1.
What is the InChIKey of (6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one?
The InChIKey is CNUUHKVLRVPYKE-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of (6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one?
(6R)-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 (6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one is sourced from PubChem (CID 11138811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).