propan-2-yl 2-oxo-2-piperidin-4-ylacetate

C10H17NO3 — CID 69175574

IUPACpropan-2-yl 2-oxo-2-piperidin-4-ylacetate
SMILESCC(C)OC(=O)C(=O)C1CCNCC1
InChIInChI=1S/C10H17NO3/c1-7(2)14-10(13)9(12)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3
InChIKeyPPBMBMZRUYDDCL-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.51
Rot. Bonds3

About propan-2-yl 2-oxo-2-piperidin-4-ylacetate

propan-2-yl 2-oxo-2-piperidin-4-ylacetate (PubChem CID 69175574) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is propan-2-yl 2-oxo-2-piperidin-4-ylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-oxo-2-piperidin-4-ylacetate
PubChem CID69175574
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namepropan-2-yl 2-oxo-2-piperidin-4-ylacetate
SMILESCC(C)OC(=O)C(=O)C1CCNCC1
InChIInChI=1S/C10H17NO3/c1-7(2)14-10(13)9(12)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3
InChIKeyPPBMBMZRUYDDCL-UHFFFAOYSA-N
XLogP0.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-piperidin-4-ylacetyl fluoride
CID 145256764
propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119338456
methyl 2-oxo-2-pyrrolidin-3-ylacetate
CID 69176388
propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate
CID 23117201
1-piperidin-4-ylethanone
CID 2723764
N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 47002845
pentan-2-yl piperidine-4-carboxylate;hydrochloride
CID 156695662
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
propan-2-yl cyclopropanecarboxylate
CID 550170
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate
CID 5232230
2-(diethylamino)-1-piperidin-4-ylethanone
CID 115006957

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-oxo-2-piperidin-4-ylacetate?
The IUPAC name of propan-2-yl 2-oxo-2-piperidin-4-ylacetate (CID 69175574) is propan-2-yl 2-oxo-2-piperidin-4-ylacetate.
What is the SMILES notation for propan-2-yl 2-oxo-2-piperidin-4-ylacetate?
The canonical SMILES for propan-2-yl 2-oxo-2-piperidin-4-ylacetate is CC(C)OC(=O)C(=O)C1CCNCC1.
What is the InChIKey of propan-2-yl 2-oxo-2-piperidin-4-ylacetate?
The InChIKey is PPBMBMZRUYDDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)14-10(13)9(12)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 2-oxo-2-piperidin-4-ylacetate?
propan-2-yl 2-oxo-2-piperidin-4-ylacetate has a molecular weight of 199.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-oxo-2-piperidin-4-ylacetate is sourced from PubChem (CID 69175574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).