(3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione

C20H30N2O2 — CID 10449331

IUPAC(3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione
SMILESCCCCCCCC[C@H]1C[C@](CC)(c2ccncc2)C(=O)NC1=O
InChIInChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-10-16-15-20(4-2,19(24)22-18(16)23)17-11-13-21-14-12-17/h11-14,16H,3-10,15H2,1-2H3,(H,22,23,24)/t16-,20+/m0/s1
InChIKeyFMESRHWFJJFVEB-OXJNMPFZSA-N
MW330.47 g/mol
LogP4.14
Rot. Bonds9

About (3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione

(3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione (PubChem CID 10449331) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione
PubChem CID10449331
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione
SMILESCCCCCCCC[C@H]1C[C@](CC)(c2ccncc2)C(=O)NC1=O
InChIInChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-10-16-15-20(4-2,19(24)22-18(16)23)17-11-13-21-14-12-17/h11-14,16H,3-10,15H2,1-2H3,(H,22,23,24)/t16-,20+/m0/s1
InChIKeyFMESRHWFJJFVEB-OXJNMPFZSA-N
XLogP4.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione?
The IUPAC name of (3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione (CID 10449331) is (3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione.
What is the SMILES notation for (3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione?
The canonical SMILES for (3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione is CCCCCCCC[C@H]1C[C@](CC)(c2ccncc2)C(=O)NC1=O.
What is the InChIKey of (3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione?
The InChIKey is FMESRHWFJJFVEB-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-10-16-15-20(4-2,19(24)22-18(16)23)17-11-13-21-14-12-17/h11-14,16H,3-10,15H2,1-2H3,(H,22,23,24)/t16-,20+/m0/s1.
What are the key properties of (3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione?
(3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione has a molecular weight of 330.47 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-ethyl-5-octyl-3-pyridin-4-ylpiperidine-2,6-dione is sourced from PubChem (CID 10449331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).