2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid

C15H19NO5 — CID 18919494

IUPAC2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H19NO5/c17-14(18)11-20-13-6-8-16(9-7-13)15(19)21-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)
InChIKeyWMFVDLNUEFUSES-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.89
Rot. Bonds5

About 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid

2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid (PubChem CID 18919494) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid
PubChem CID18919494
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H19NO5/c17-14(18)11-20-13-6-8-16(9-7-13)15(19)21-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)
InChIKeyWMFVDLNUEFUSES-UHFFFAOYSA-N
XLogP1.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid (CID 18919494) is 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid is O=C(O)COC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid?
The InChIKey is WMFVDLNUEFUSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-14(18)11-20-13-6-8-16(9-7-13)15(19)21-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18).
What are the key properties of 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid?
2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 18919494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).