3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione

C19H26F2N6O2 — CID 166559157

IUPAC3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCN(C4CCNCC4(F)F)CC3)cn2)C(=O)N1
InChIInChI=1S/C19H26F2N6O2/c20-19(21)12-22-6-5-15(19)27-9-7-26(8-10-27)13-1-3-16(23-11-13)24-14-2-4-17(28)25-18(14)29/h1,3,11,14-15,22H,2,4-10,12H2,(H,23,24)(H,25,28,29)
InChIKeyIJHMFDIGDIZUSB-UHFFFAOYSA-N
MW408.45 g/mol
LogP0.42
Rot. Bonds4

About 3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione

3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione (PubChem CID 166559157) has the molecular formula C19H26F2N6O2 and a molecular weight of 408.45 g/mol. Its IUPAC name is 3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
PubChem CID166559157
Molecular FormulaC19H26F2N6O2
Molecular Weight408.45 g/mol
Exact Mass408.21
IUPAC Name3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCN(C4CCNCC4(F)F)CC3)cn2)C(=O)N1
InChIInChI=1S/C19H26F2N6O2/c20-19(21)12-22-6-5-15(19)27-9-7-26(8-10-27)13-1-3-16(23-11-13)24-14-2-4-17(28)25-18(14)29/h1,3,11,14-15,22H,2,4-10,12H2,(H,23,24)(H,25,28,29)
InChIKeyIJHMFDIGDIZUSB-UHFFFAOYSA-N
XLogP0.42
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione (CID 166559157) is 3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione is O=C1CCC(Nc2ccc(N3CCN(C4CCNCC4(F)F)CC3)cn2)C(=O)N1.
What is the InChIKey of 3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione?
The InChIKey is IJHMFDIGDIZUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N6O2/c20-19(21)12-22-6-5-15(19)27-9-7-26(8-10-27)13-1-3-16(23-11-13)24-14-2-4-17(28)25-18(14)29/h1,3,11,14-15,22H,2,4-10,12H2,(H,23,24)(H,25,28,29).
What are the key properties of 3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione?
3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione has a molecular weight of 408.45 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[4-(3,3-difluoropiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166559157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).