3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione

C20H29FN6O2 — CID 177301237

IUPAC3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCN(CC4CCNCC4)CC3)nc2F)C(=O)N1
InChIInChI=1S/C20H29FN6O2/c21-19-15(23-16-2-4-18(28)25-20(16)29)1-3-17(24-19)27-11-9-26(10-12-27)13-14-5-7-22-8-6-14/h1,3,14,16,22-23H,2,4-13H2,(H,25,28,29)
InChIKeyLZGIAUZJOIJZTA-UHFFFAOYSA-N
MW404.49 g/mol
LogP0.56
Rot. Bonds5

About 3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione

3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione (PubChem CID 177301237) has the molecular formula C20H29FN6O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione
PubChem CID177301237
Molecular FormulaC20H29FN6O2
Molecular Weight404.49 g/mol
Exact Mass404.23
IUPAC Name3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCN(CC4CCNCC4)CC3)nc2F)C(=O)N1
InChIInChI=1S/C20H29FN6O2/c21-19-15(23-16-2-4-18(28)25-20(16)29)1-3-17(24-19)27-11-9-26(10-12-27)13-14-5-7-22-8-6-14/h1,3,14,16,22-23H,2,4-13H2,(H,25,28,29)
InChIKeyLZGIAUZJOIJZTA-UHFFFAOYSA-N
XLogP0.56
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione (CID 177301237) is 3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione is O=C1CCC(Nc2ccc(N3CCN(CC4CCNCC4)CC3)nc2F)C(=O)N1.
What is the InChIKey of 3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione?
The InChIKey is LZGIAUZJOIJZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN6O2/c21-19-15(23-16-2-4-18(28)25-20(16)29)1-3-17(24-19)27-11-9-26(10-12-27)13-14-5-7-22-8-6-14/h1,3,14,16,22-23H,2,4-13H2,(H,25,28,29).
What are the key properties of 3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione?
3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione has a molecular weight of 404.49 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 177301237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).