3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

C16H21FN4O2 — CID 166472008

IUPAC3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESCNC1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C16H21FN4O2/c1-18-11-4-6-21(7-5-11)15-13(17)8-10(9-19-15)12-2-3-14(22)20-16(12)23/h8-9,11-12,18H,2-7H2,1H3,(H,20,22,23)
InChIKeyGGMQTDBQFNKJRT-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.93
Rot. Bonds3

About 3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 166472008) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
PubChem CID166472008
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESCNC1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C16H21FN4O2/c1-18-11-4-6-21(7-5-11)15-13(17)8-10(9-19-15)12-2-3-14(22)20-16(12)23/h8-9,11-12,18H,2-7H2,1H3,(H,20,22,23)
InChIKeyGGMQTDBQFNKJRT-UHFFFAOYSA-N
XLogP0.93
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
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 3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 166472008) is 3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is CNC1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is GGMQTDBQFNKJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-18-11-4-6-21(7-5-11)15-13(17)8-10(9-19-15)12-2-3-14(22)20-16(12)23/h8-9,11-12,18H,2-7H2,1H3,(H,20,22,23).
What are the key properties of 3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 320.37 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166472008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).