3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione

C19H27N5O3 — CID 166472189

IUPAC3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione
SMILESCC(C)C(=O)CN1CCC(c2cnc(NC3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C19H27N5O3/c1-12(2)16(25)11-24-7-5-13(6-8-24)14-9-20-19(21-10-14)22-15-3-4-17(26)23-18(15)27/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,20,21,22)(H,23,26,27)
InChIKeyJUMVHNTWFUVKPP-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.10
Rot. Bonds6

About 3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione

3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione (PubChem CID 166472189) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione
PubChem CID166472189
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione
SMILESCC(C)C(=O)CN1CCC(c2cnc(NC3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C19H27N5O3/c1-12(2)16(25)11-24-7-5-13(6-8-24)14-9-20-19(21-10-14)22-15-3-4-17(26)23-18(15)27/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,20,21,22)(H,23,26,27)
InChIKeyJUMVHNTWFUVKPP-UHFFFAOYSA-N
XLogP1.10
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.10
H-Bond Donors ≤ 52
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-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione (CID 166472189) is 3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione is CC(C)C(=O)CN1CCC(c2cnc(NC3CCC(=O)NC3=O)nc2)CC1.
What is the InChIKey of 3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione?
The InChIKey is JUMVHNTWFUVKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-12(2)16(25)11-24-7-5-13(6-8-24)14-9-20-19(21-10-14)22-15-3-4-17(26)23-18(15)27/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,20,21,22)(H,23,26,27).
What are the key properties of 3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione?
3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione has a molecular weight of 373.46 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166472189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).