1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C17H24N4O3 — CID 56724063

IUPAC1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)n(CC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1
InChIInChI=1S/C17H24N4O3/c1-12-9-13(2)21(18-12)10-14-5-7-19(8-6-14)17(24)11-20-15(22)3-4-16(20)23/h9,14H,3-8,10-11H2,1-2H3
InChIKeyNJJGPPMWOZPXSI-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.89
Rot. Bonds4

About 1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 56724063) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID56724063
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)n(CC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1
InChIInChI=1S/C17H24N4O3/c1-12-9-13(2)21(18-12)10-14-5-7-19(8-6-14)17(24)11-20-15(22)3-4-16(20)23/h9,14H,3-8,10-11H2,1-2H3
InChIKeyNJJGPPMWOZPXSI-UHFFFAOYSA-N
XLogP0.89
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 56724063) is 1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is Cc1cc(C)n(CC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1.
What is the InChIKey of 1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is NJJGPPMWOZPXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-9-13(2)21(18-12)10-14-5-7-19(8-6-14)17(24)11-20-15(22)3-4-16(20)23/h9,14H,3-8,10-11H2,1-2H3.
What are the key properties of 1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 332.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 56724063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).