2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid

C18H21FN2O5 — CID 156505564

IUPAC2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid
SMILESO=C(O)CC1(O)CCN(c2ccc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C18H21FN2O5/c19-13-9-11(12-2-4-15(22)20-17(12)25)1-3-14(13)21-7-5-18(26,6-8-21)10-16(23)24/h1,3,9,12,26H,2,4-8,10H2,(H,23,24)(H,20,22,25)
InChIKeyOLCAYBMXNNHVIY-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.15
Rot. Bonds4

About 2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid

2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid (PubChem CID 156505564) has the molecular formula C18H21FN2O5 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid
PubChem CID156505564
Molecular FormulaC18H21FN2O5
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid
SMILESO=C(O)CC1(O)CCN(c2ccc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C18H21FN2O5/c19-13-9-11(12-2-4-15(22)20-17(12)25)1-3-14(13)21-7-5-18(26,6-8-21)10-16(23)24/h1,3,9,12,26H,2,4-8,10H2,(H,23,24)(H,20,22,25)
InChIKeyOLCAYBMXNNHVIY-UHFFFAOYSA-N
XLogP1.15
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid (CID 156505564) is 2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid is O=C(O)CC1(O)CCN(c2ccc(C3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid?
The InChIKey is OLCAYBMXNNHVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5/c19-13-9-11(12-2-4-15(22)20-17(12)25)1-3-14(13)21-7-5-18(26,6-8-21)10-16(23)24/h1,3,9,12,26H,2,4-8,10H2,(H,23,24)(H,20,22,25).
What are the key properties of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid?
2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid has a molecular weight of 364.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetic acid is sourced from PubChem (CID 156505564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).