[(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate

C20H36N2O3 — CID 92535482

IUPAC[(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate
SMILESCCCCCCCC(=O)O[C@H](CN1CCCCC1)CN1CCCC1=O
InChIInChI=1S/C20H36N2O3/c1-2-3-4-5-7-12-20(24)25-18(16-21-13-8-6-9-14-21)17-22-15-10-11-19(22)23/h18H,2-17H2,1H3/t18-/m1/s1
InChIKeyOJKNXBCEXVIJGN-GOSISDBHSA-N
MW352.52 g/mol
LogP3.37
Rot. Bonds11

About [(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate

[(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate (PubChem CID 92535482) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is [(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate.

Molecular Properties

Compound Name[(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate
PubChem CID92535482
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Name[(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate
SMILESCCCCCCCC(=O)O[C@H](CN1CCCCC1)CN1CCCC1=O
InChIInChI=1S/C20H36N2O3/c1-2-3-4-5-7-12-20(24)25-18(16-21-13-8-6-9-14-21)17-22-15-10-11-19(22)23/h18H,2-17H2,1H3/t18-/m1/s1
InChIKeyOJKNXBCEXVIJGN-GOSISDBHSA-N
XLogP3.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate
CID 3680104
[(2S)-1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] hexanoate
CID 7336252
[1-(1-methylazepan-1-ium-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] undecanoate
CID 145097715
[1-(1-methylpiperidin-1-ium-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] decanoate
CID 121392132
[1-(1-methylpiperidin-1-ium-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] dodecanoate
CID 4252415
[(2R)-1-(azepan-1-ium-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] hexanoate
CID 7336251
[1-[hexyl(methyl)amino]-3-(2-oxopyrrolidin-1-yl)propan-2-yl] dodecanoate
CID 121392264
[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ium-1-ylpropan-2-yl] hexanoate iodide
CID 44655880
[1-morpholin-4-ium-4-yl-3-(2-oxopyrrolidin-1-yl)propan-2-yl] dodecanoate
CID 3665576
(2-oxopyrrolidin-1-yl)methyl octadecanoate
CID 175360179
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate?
The IUPAC name of [(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate (CID 92535482) is [(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate.
What is the SMILES notation for [(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate?
The canonical SMILES for [(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate is CCCCCCCC(=O)O[C@H](CN1CCCCC1)CN1CCCC1=O.
What is the InChIKey of [(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate?
The InChIKey is OJKNXBCEXVIJGN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-2-3-4-5-7-12-20(24)25-18(16-21-13-8-6-9-14-21)17-22-15-10-11-19(22)23/h18H,2-17H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate?
[(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate has a molecular weight of 352.52 g/mol, XLogP of 3.37, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate is sourced from PubChem (CID 92535482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).