2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate

C16H21NO3 — CID 155075940

IUPAC2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate
SMILESCC(C)(OC(=O)C(=O)c1ccccc1)C1CCNCC1
InChIInChI=1S/C16H21NO3/c1-16(2,13-8-10-17-11-9-13)20-15(19)14(18)12-6-4-3-5-7-12/h3-7,13,17H,8-11H2,1-2H3
InChIKeyYEWNQDSEWKGSCJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.19
Rot. Bonds4

About 2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate

2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate (PubChem CID 155075940) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate
PubChem CID155075940
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate
SMILESCC(C)(OC(=O)C(=O)c1ccccc1)C1CCNCC1
InChIInChI=1S/C16H21NO3/c1-16(2,13-8-10-17-11-9-13)20-15(19)14(18)12-6-4-3-5-7-12/h3-7,13,17H,8-11H2,1-2H3
InChIKeyYEWNQDSEWKGSCJ-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.19
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-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate
CID 155075328
2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate
CID 155075699
2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate
CID 155075781
2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate
CID 155075707
2-piperidin-4-ylpropan-2-yl 4-bromobenzoate
CID 155605413
2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate
CID 155605208
2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate
CID 155076614
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate
CID 155075976
2-piperidin-4-ylpropan-2-yl 2,2,2-tribromoacetate
CID 155605248
bis(2-piperidin-4-ylpropan-2-yl) 5-bromobenzene-1,3-dicarboxylate
CID 155605297

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate (CID 155075940) is 2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate is CC(C)(OC(=O)C(=O)c1ccccc1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate?
The InChIKey is YEWNQDSEWKGSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(2,13-8-10-17-11-9-13)20-15(19)14(18)12-6-4-3-5-7-12/h3-7,13,17H,8-11H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate?
2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate has a molecular weight of 275.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate is sourced from PubChem (CID 155075940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).