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

C15H20FN5O2 — CID 172509748

IUPAC3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione
SMILESCN(c1ccc(N2CCNCC2)c(F)n1)C1CCC(=O)NC1=O
InChIInChI=1S/C15H20FN5O2/c1-20(11-3-5-13(22)19-15(11)23)12-4-2-10(14(16)18-12)21-8-6-17-7-9-21/h2,4,11,17H,3,5-9H2,1H3,(H,19,22,23)
InChIKeyMEOGGZKSNMPBNN-UHFFFAOYSA-N
MW321.36 g/mol
LogP-0.13
Rot. Bonds3

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

3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione (PubChem CID 172509748) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione
PubChem CID172509748
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione
SMILESCN(c1ccc(N2CCNCC2)c(F)n1)C1CCC(=O)NC1=O
InChIInChI=1S/C15H20FN5O2/c1-20(11-3-5-13(22)19-15(11)23)12-4-2-10(14(16)18-12)21-8-6-17-7-9-21/h2,4,11,17H,3,5-9H2,1H3,(H,19,22,23)
InChIKeyMEOGGZKSNMPBNN-UHFFFAOYSA-N
XLogP-0.13
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione?
The IUPAC name of 3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione (CID 172509748) is 3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione?
The canonical SMILES for 3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione is CN(c1ccc(N2CCNCC2)c(F)n1)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione?
The InChIKey is MEOGGZKSNMPBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-20(11-3-5-13(22)19-15(11)23)12-4-2-10(14(16)18-12)21-8-6-17-7-9-21/h2,4,11,17H,3,5-9H2,1H3,(H,19,22,23).
What are the key properties of 3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione?
3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione has a molecular weight of 321.36 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-5-piperazin-1-yl-2-pyridinyl)-methylamino]piperidine-2,6-dione is sourced from PubChem (CID 172509748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).