1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one

C19H28N4O2 — CID 126800449

IUPAC1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCC1CCN(C(=O)C2CCC(=O)N(C3CC3)C2c2ccnn2C)C1C
InChIInChI=1S/C19H28N4O2/c1-12-9-11-22(13(12)2)19(25)15-6-7-17(24)23(14-4-5-14)18(15)16-8-10-20-21(16)3/h8,10,12-15,18H,4-7,9,11H2,1-3H3
InChIKeyXLWZQLXFGAASHA-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.12
Rot. Bonds3

About 1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one

1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 126800449) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one
PubChem CID126800449
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCC1CCN(C(=O)C2CCC(=O)N(C3CC3)C2c2ccnn2C)C1C
InChIInChI=1S/C19H28N4O2/c1-12-9-11-22(13(12)2)19(25)15-6-7-17(24)23(14-4-5-14)18(15)16-8-10-20-21(16)3/h8,10,12-15,18H,4-7,9,11H2,1-3H3
InChIKeyXLWZQLXFGAASHA-UHFFFAOYSA-N
XLogP2.12
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of 1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one (CID 126800449) is 1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for 1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for 1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one is CC1CCN(C(=O)C2CCC(=O)N(C3CC3)C2c2ccnn2C)C1C.
What is the InChIKey of 1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is XLWZQLXFGAASHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12-9-11-22(13(12)2)19(25)15-6-7-17(24)23(14-4-5-14)18(15)16-8-10-20-21(16)3/h8,10,12-15,18H,4-7,9,11H2,1-3H3.
What are the key properties of 1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 344.46 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2,3-dimethylpyrrolidine-1-carbonyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 126800449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).