methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate

C20H26N2O6 — CID 3626884

IUPACmethyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)CC(NC(C)=O)c2ccccc2)CC1
InChIInChI=1S/C20H26N2O6/c1-14(23)21-17(15-6-4-3-5-7-15)12-19(25)28-13-18(24)22-10-8-16(9-11-22)20(26)27-2/h3-7,16-17H,8-13H2,1-2H3,(H,21,23)
InChIKeyUYIRYNQYEKKPPQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.21
Rot. Bonds7

About methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate

methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 3626884) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID3626884
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Namemethyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)CC(NC(C)=O)c2ccccc2)CC1
InChIInChI=1S/C20H26N2O6/c1-14(23)21-17(15-6-4-3-5-7-15)12-19(25)28-13-18(24)22-10-8-16(9-11-22)20(26)27-2/h3-7,16-17H,8-13H2,1-2H3,(H,21,23)
InChIKeyUYIRYNQYEKKPPQ-UHFFFAOYSA-N
XLogP1.21
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate (CID 3626884) is methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)CC(NC(C)=O)c2ccccc2)CC1.
What is the InChIKey of methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is UYIRYNQYEKKPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-14(23)21-17(15-6-4-3-5-7-15)12-19(25)28-13-18(24)22-10-8-16(9-11-22)20(26)27-2/h3-7,16-17H,8-13H2,1-2H3,(H,21,23).
What are the key properties of methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate?
methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 3626884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).