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

C24H44N2O3 — CID 3680104

IUPAC[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(CN1CCCCC1)CN1CCCC1=O
InChIInChI=1S/C24H44N2O3/c1-2-3-4-5-6-7-8-9-11-16-24(28)29-22(20-25-17-12-10-13-18-25)21-26-19-14-15-23(26)27/h22H,2-21H2,1H3
InChIKeyHEOONXOJEPJDCL-UHFFFAOYSA-N
MW408.63 g/mol
LogP4.93
Rot. Bonds15

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

[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate (PubChem CID 3680104) has the molecular formula C24H44N2O3 and a molecular weight of 408.63 g/mol. Its IUPAC name is [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate.

Molecular Properties

Compound Name[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate
PubChem CID3680104
Molecular FormulaC24H44N2O3
Molecular Weight408.63 g/mol
Exact Mass408.34
IUPAC Name[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(CN1CCCCC1)CN1CCCC1=O
InChIInChI=1S/C24H44N2O3/c1-2-3-4-5-6-7-8-9-11-16-24(28)29-22(20-25-17-12-10-13-18-25)21-26-19-14-15-23(26)27/h22H,2-21H2,1H3
InChIKeyHEOONXOJEPJDCL-UHFFFAOYSA-N
XLogP4.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 54.93
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

[(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate
CID 92535482
[(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 [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate?
The IUPAC name of [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate (CID 3680104) is [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate.
What is the SMILES notation for [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate?
The canonical SMILES for [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate is CCCCCCCCCCCC(=O)OC(CN1CCCCC1)CN1CCCC1=O.
What is the InChIKey of [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate?
The InChIKey is HEOONXOJEPJDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O3/c1-2-3-4-5-6-7-8-9-11-16-24(28)29-22(20-25-17-12-10-13-18-25)21-26-19-14-15-23(26)27/h22H,2-21H2,1H3.
What are the key properties of [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate?
[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate has a molecular weight of 408.63 g/mol, XLogP of 4.93, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate is sourced from PubChem (CID 3680104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).