[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C20H22N2O3 — CID 89290632

IUPAC[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-15-14-22-12-10-17(11-13-22)25-20(24)21-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H,21,24)
InChIKeyCVPHEOQPUUTKFF-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.57
Rot. Bonds5

About [1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 89290632) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID89290632
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-15-14-22-12-10-17(11-13-22)25-20(24)21-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H,21,24)
InChIKeyCVPHEOQPUUTKFF-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 89290632) is [1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is O=CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is CVPHEOQPUUTKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-15-14-22-12-10-17(11-13-22)25-20(24)21-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H,21,24).
What are the key properties of [1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 338.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 89290632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).