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

C18H21F2N3O2 — CID 166472187

IUPAC3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESCCC(F)=C1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C18H21F2N3O2/c1-2-14(19)11-5-7-23(8-6-11)17-15(20)9-12(10-21-17)13-3-4-16(24)22-18(13)25/h9-10,13H,2-8H2,1H3,(H,22,24,25)
InChIKeyXMRDUXXKDLSCLN-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.97
Rot. Bonds3

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

3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 166472187) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
PubChem CID166472187
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESCCC(F)=C1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C18H21F2N3O2/c1-2-14(19)11-5-7-23(8-6-11)17-15(20)9-12(10-21-17)13-3-4-16(24)22-18(13)25/h9-10,13H,2-8H2,1H3,(H,22,24,25)
InChIKeyXMRDUXXKDLSCLN-UHFFFAOYSA-N
XLogP2.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 166472187) is 3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is CCC(F)=C1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is XMRDUXXKDLSCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-2-14(19)11-5-7-23(8-6-11)17-15(20)9-12(10-21-17)13-3-4-16(24)22-18(13)25/h9-10,13H,2-8H2,1H3,(H,22,24,25).
What are the key properties of 3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 349.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-6-[4-(1-fluoropropylidene)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166472187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).