methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate

C18H28NO5P — CID 66624363

IUPACmethyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate
SMILESCCOP(=O)(OCC)N1CCCCC1C(C(=O)OC)c1ccccc1
InChIInChI=1S/C18H28NO5P/c1-4-23-25(21,24-5-2)19-14-10-9-13-16(19)17(18(20)22-3)15-11-7-6-8-12-15/h6-8,11-12,16-17H,4-5,9-10,13-14H2,1-3H3
InChIKeyZASROOLESYADNK-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.98
Rot. Bonds8

About methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate

methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate (PubChem CID 66624363) has the molecular formula C18H28NO5P and a molecular weight of 369.40 g/mol. Its IUPAC name is methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate
PubChem CID66624363
Molecular FormulaC18H28NO5P
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Namemethyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate
SMILESCCOP(=O)(OCC)N1CCCCC1C(C(=O)OC)c1ccccc1
InChIInChI=1S/C18H28NO5P/c1-4-23-25(21,24-5-2)19-14-10-9-13-16(19)17(18(20)22-3)15-11-7-6-8-12-15/h6-8,11-12,16-17H,4-5,9-10,13-14H2,1-3H3
InChIKeyZASROOLESYADNK-UHFFFAOYSA-N
XLogP3.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate?
The IUPAC name of methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate (CID 66624363) is methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate?
The canonical SMILES for methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate is CCOP(=O)(OCC)N1CCCCC1C(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate?
The InChIKey is ZASROOLESYADNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28NO5P/c1-4-23-25(21,24-5-2)19-14-10-9-13-16(19)17(18(20)22-3)15-11-7-6-8-12-15/h6-8,11-12,16-17H,4-5,9-10,13-14H2,1-3H3.
What are the key properties of methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate?
methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate has a molecular weight of 369.40 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-diethoxyphosphorylpiperidin-2-yl)-2-phenylacetate is sourced from PubChem (CID 66624363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).