4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid

C15H23NO6 — CID 167739754

IUPAC4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid
SMILESC=CCOC(=O)N1CCC(O)(C2(C(=O)O)CCOCC2)CC1
InChIInChI=1S/C15H23NO6/c1-2-9-22-13(19)16-7-3-15(20,4-8-16)14(12(17)18)5-10-21-11-6-14/h2,20H,1,3-11H2,(H,17,18)
InChIKeyLAVJFJNLCTVUBK-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.02
Rot. Bonds4

About 4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid

4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid (PubChem CID 167739754) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid
PubChem CID167739754
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC Name4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid
SMILESC=CCOC(=O)N1CCC(O)(C2(C(=O)O)CCOCC2)CC1
InChIInChI=1S/C15H23NO6/c1-2-9-22-13(19)16-7-3-15(20,4-8-16)14(12(17)18)5-10-21-11-6-14/h2,20H,1,3-11H2,(H,17,18)
InChIKeyLAVJFJNLCTVUBK-UHFFFAOYSA-N
XLogP1.02
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid?
The IUPAC name of 4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid (CID 167739754) is 4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid is C=CCOC(=O)N1CCC(O)(C2(C(=O)O)CCOCC2)CC1.
What is the InChIKey of 4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid?
The InChIKey is LAVJFJNLCTVUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6/c1-2-9-22-13(19)16-7-3-15(20,4-8-16)14(12(17)18)5-10-21-11-6-14/h2,20H,1,3-11H2,(H,17,18).
What are the key properties of 4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid?
4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid is sourced from PubChem (CID 167739754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).