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

C18H27N5O3 — CID 166471946

IUPAC3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione
SMILESCC(C)C(=O)CN1CCC(n2ccc(NC3CCC(=O)NC3=O)n2)CC1
InChIInChI=1S/C18H27N5O3/c1-12(2)15(24)11-22-8-5-13(6-9-22)23-10-7-16(21-23)19-14-3-4-17(25)20-18(14)26/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,19,21)(H,20,25,26)
InChIKeyKPLQAGAPSAPVME-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.96
Rot. Bonds6

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

3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione (PubChem CID 166471946) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione
PubChem CID166471946
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione
SMILESCC(C)C(=O)CN1CCC(n2ccc(NC3CCC(=O)NC3=O)n2)CC1
InChIInChI=1S/C18H27N5O3/c1-12(2)15(24)11-22-8-5-13(6-9-22)23-10-7-16(21-23)19-14-3-4-17(25)20-18(14)26/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,19,21)(H,20,25,26)
InChIKeyKPLQAGAPSAPVME-UHFFFAOYSA-N
XLogP0.96
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.96
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-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione (CID 166471946) is 3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione is CC(C)C(=O)CN1CCC(n2ccc(NC3CCC(=O)NC3=O)n2)CC1.
What is the InChIKey of 3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione?
The InChIKey is KPLQAGAPSAPVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-12(2)15(24)11-22-8-5-13(6-9-22)23-10-7-16(21-23)19-14-3-4-17(25)20-18(14)26/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,19,21)(H,20,25,26).
What are the key properties of 3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione?
3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione has a molecular weight of 361.45 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166471946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).