methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate

C17H23NO5 — CID 6457812

IUPACmethyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H23NO5/c1-21-14-3-5-15(6-4-14)23-12-9-16(19)18-10-7-13(8-11-18)17(20)22-2/h3-6,13H,7-12H2,1-2H3
InChIKeyGSHOBVOLSKGEIS-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.88
Rot. Bonds6

About methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate

methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate (PubChem CID 6457812) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
PubChem CID6457812
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namemethyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H23NO5/c1-21-14-3-5-15(6-4-14)23-12-9-16(19)18-10-7-13(8-11-18)17(20)22-2/h3-6,13H,7-12H2,1-2H3
InChIKeyGSHOBVOLSKGEIS-UHFFFAOYSA-N
XLogP1.88
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate (CID 6457812) is methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCOc2ccc(OC)cc2)CC1.
What is the InChIKey of methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate?
The InChIKey is GSHOBVOLSKGEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-21-14-3-5-15(6-4-14)23-12-9-16(19)18-10-7-13(8-11-18)17(20)22-2/h3-6,13H,7-12H2,1-2H3.
What are the key properties of methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate?
methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 6457812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).