phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate

C16H22NO8P — CID 71244658

IUPACphosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1C(=O)OCOP(=O)(O)O
InChIInChI=1S/C16H22NO8P/c1-23-15(18)14(12-7-3-2-4-8-12)13-9-5-6-10-17(13)16(19)24-11-25-26(20,21)22/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H2,20,21,22)
InChIKeyBSQJCMALWXPBND-UHFFFAOYSA-N
MW387.33 g/mol
LogP2.00
Rot. Bonds6

About phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate

phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate (PubChem CID 71244658) has the molecular formula C16H22NO8P and a molecular weight of 387.33 g/mol. Its IUPAC name is phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namephosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
PubChem CID71244658
Molecular FormulaC16H22NO8P
Molecular Weight387.33 g/mol
Exact Mass387.11
IUPAC Namephosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1C(=O)OCOP(=O)(O)O
InChIInChI=1S/C16H22NO8P/c1-23-15(18)14(12-7-3-2-4-8-12)13-9-5-6-10-17(13)16(19)24-11-25-26(20,21)22/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H2,20,21,22)
InChIKeyBSQJCMALWXPBND-UHFFFAOYSA-N
XLogP2.00
TPSA122.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-[(1S)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carboxylate
CID 11067588
2-acetamidoethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 90368050
propan-2-one;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 158901829
2-(prop-1-en-2-ylamino)ethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 89400071
(9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 161243138
2-[1-(chloromethoxycarbonyl)piperidin-2-yl]-2-phenylacetic acid
CID 178113845
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 130215972
methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate
CID 59825361
(2S,3R)-3-hydroxy-2-[[1-[[(2R)-2-[(1R)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carbonyl]amino]butanoic acid
CID 139485303
3-chloro-2-[[1-[[(2R)-2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carbonyl]amino]propanoic acid
CID 155011695
(2S)-2-[[2-[[1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carbonyl]amino]acetyl]amino]propanoic acid
CID 71498597
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
CID 58913468

Frequently Asked Questions

What is the IUPAC name of phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate?
The IUPAC name of phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate (CID 71244658) is phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate.
What is the SMILES notation for phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate?
The canonical SMILES for phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate is COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OCOP(=O)(O)O.
What is the InChIKey of phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate?
The InChIKey is BSQJCMALWXPBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NO8P/c1-23-15(18)14(12-7-3-2-4-8-12)13-9-5-6-10-17(13)16(19)24-11-25-26(20,21)22/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H2,20,21,22).
What are the key properties of phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate?
phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate has a molecular weight of 387.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 71244658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).