1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate

C22H30N2O4 — CID 12050241

IUPAC1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate
SMILESCC(CN1CCCCC1)OC(=O)C1CCCCN1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C22H30N2O4/c1-17(16-23-13-7-3-8-14-23)28-22(27)19-12-6-9-15-24(19)21(26)20(25)18-10-4-2-5-11-18/h2,4-5,10-11,17,19H,3,6-9,12-16H2,1H3
InChIKeyXJAZQNWIEIGPLN-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.67
Rot. Bonds6

About 1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate

1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate (PubChem CID 12050241) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate
PubChem CID12050241
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate
SMILESCC(CN1CCCCC1)OC(=O)C1CCCCN1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C22H30N2O4/c1-17(16-23-13-7-3-8-14-23)28-22(27)19-12-6-9-15-24(19)21(26)20(25)18-10-4-2-5-11-18/h2,4-5,10-11,17,19H,3,6-9,12-16H2,1H3
InChIKeyXJAZQNWIEIGPLN-UHFFFAOYSA-N
XLogP2.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate (CID 12050241) is 1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate is CC(CN1CCCCC1)OC(=O)C1CCCCN1C(=O)C(=O)c1ccccc1.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate?
The InChIKey is XJAZQNWIEIGPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-17(16-23-13-7-3-8-14-23)28-22(27)19-12-6-9-15-24(19)21(26)20(25)18-10-4-2-5-11-18/h2,4-5,10-11,17,19H,3,6-9,12-16H2,1H3.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate?
1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate has a molecular weight of 386.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate is sourced from PubChem (CID 12050241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).