diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate

C18H32N2O5 — CID 23206150

IUPACdiethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate
SMILESCCOC(=O)C(CCCCN1CCCCC1)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C18H32N2O5/c1-4-24-16(22)18(19-15(3)21,17(23)25-5-2)11-7-10-14-20-12-8-6-9-13-20/h4-14H2,1-3H3,(H,19,21)
InChIKeyLELSNTVSSCFNTG-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.64
Rot. Bonds10

About diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate

diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate (PubChem CID 23206150) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate
PubChem CID23206150
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Namediethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate
SMILESCCOC(=O)C(CCCCN1CCCCC1)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C18H32N2O5/c1-4-24-16(22)18(19-15(3)21,17(23)25-5-2)11-7-10-14-20-12-8-6-9-13-20/h4-14H2,1-3H3,(H,19,21)
InChIKeyLELSNTVSSCFNTG-UHFFFAOYSA-N
XLogP1.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-(methoxymethyl)piperidine-2-carboxylate
CID 117272128
1-Acetyl-2-ethoxycarbonylpiperidine-2-carboxylic acid
CID 85844314
Diethyl acetamido[4-[2-oxo-3-oxazolidinyl]butyl]malonate
CID 537221
Diethyl 1-acetylpiperidine-2,2-dicarboxylate
CID 85844311
Diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate
CID 18975848
2-Acetamido-2-ethoxycarbonyl-6-piperidin-1-ylhexanoic acid
CID 22401127
Diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate
CID 23206144
Diethyl 2-acetamido-2-(4-pyrrolidin-1-ylbutyl)propanedioate
CID 23206145
Diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate
CID 23206147
Diethyl 2-acetamido-2-[4-(4-methylpiperazin-1-yl)butyl]propanedioate
CID 23206148
(2S)-6-amino-2-ethoxycarbonyl-2-(propanoylamino)hexanoic acid
CID 57272066
2-Butoxycarbonylpiperidine-2-carboxylic acid
CID 67685241

Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate?
The IUPAC name of diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate (CID 23206150) is diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate?
The canonical SMILES for diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate is CCOC(=O)C(CCCCN1CCCCC1)(NC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate?
The InChIKey is LELSNTVSSCFNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-4-24-16(22)18(19-15(3)21,17(23)25-5-2)11-7-10-14-20-12-8-6-9-13-20/h4-14H2,1-3H3,(H,19,21).
What are the key properties of diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate?
diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate has a molecular weight of 356.46 g/mol, XLogP of 1.64, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate is sourced from PubChem (CID 23206150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).