2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid

C17H21FN4O4 — CID 166472355

IUPAC2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ncc(NC3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C17H21FN4O4/c18-12-8-11(20-13-1-2-14(23)21-17(13)26)9-19-16(12)22-5-3-10(4-6-22)7-15(24)25/h8-10,13,20H,1-7H2,(H,24,25)(H,21,23,26)
InChIKeyZOHGHCHTJVTKSO-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.13
Rot. Bonds5

About 2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid

2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid (PubChem CID 166472355) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid
PubChem CID166472355
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC Name2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ncc(NC3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C17H21FN4O4/c18-12-8-11(20-13-1-2-14(23)21-17(13)26)9-19-16(12)22-5-3-10(4-6-22)7-15(24)25/h8-10,13,20H,1-7H2,(H,24,25)(H,21,23,26)
InChIKeyZOHGHCHTJVTKSO-UHFFFAOYSA-N
XLogP1.13
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid (CID 166472355) is 2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(c2ncc(NC3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid?
The InChIKey is ZOHGHCHTJVTKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4/c18-12-8-11(20-13-1-2-14(23)21-17(13)26)9-19-16(12)22-5-3-10(4-6-22)7-15(24)25/h8-10,13,20H,1-7H2,(H,24,25)(H,21,23,26).
What are the key properties of 2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid?
2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid has a molecular weight of 364.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 166472355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).