3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione

C14H19N5O2 — CID 166117145

IUPAC3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2cnc(C3CCNCC3)nc2)C(=O)N1
InChIInChI=1S/C14H19N5O2/c20-12-2-1-11(14(21)19-12)18-10-7-16-13(17-8-10)9-3-5-15-6-4-9/h7-9,11,15,18H,1-6H2,(H,19,20,21)
InChIKeyFLDWSRSHTGZNSS-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.16
Rot. Bonds3

About 3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione

3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione (PubChem CID 166117145) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione
PubChem CID166117145
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2cnc(C3CCNCC3)nc2)C(=O)N1
InChIInChI=1S/C14H19N5O2/c20-12-2-1-11(14(21)19-12)18-10-7-16-13(17-8-10)9-3-5-15-6-4-9/h7-9,11,15,18H,1-6H2,(H,19,20,21)
InChIKeyFLDWSRSHTGZNSS-UHFFFAOYSA-N
XLogP0.16
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
3-[(5-fluoro-3-pyridinyl)amino]piperidine-2,6-dione
CID 166472267
3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
CID 156515927
3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione
CID 166452945
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione
CID 168793425
potassium 3-(anilino)piperidine-2,6-dione
CID 169190282
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691
3-(4-piperidin-3-ylanilino)piperidine-2,6-dione
CID 166117596
(3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170728957
3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride
CID 175526668

Frequently Asked Questions

What is the IUPAC name of 3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione (CID 166117145) is 3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione is O=C1CCC(Nc2cnc(C3CCNCC3)nc2)C(=O)N1.
What is the InChIKey of 3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione?
The InChIKey is FLDWSRSHTGZNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-12-2-1-11(14(21)19-12)18-10-7-16-13(17-8-10)9-3-5-15-6-4-9/h7-9,11,15,18H,1-6H2,(H,19,20,21).
What are the key properties of 3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione?
3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione has a molecular weight of 289.34 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 166117145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).