[3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone

C19H21N5O — CID 135300400

IUPAC[3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCc1nn(C)cc1-c1cnc2ccc(C(=O)N3CCCCC3)cc2n1
InChIInChI=1S/C19H21N5O/c1-13-15(12-23(2)22-13)18-11-20-16-7-6-14(10-17(16)21-18)19(25)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3
InChIKeyNBVHEDZEUSAFOF-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.96
Rot. Bonds2

About [3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone

[3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 135300400) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID135300400
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCc1nn(C)cc1-c1cnc2ccc(C(=O)N3CCCCC3)cc2n1
InChIInChI=1S/C19H21N5O/c1-13-15(12-23(2)22-13)18-11-20-16-7-6-14(10-17(16)21-18)19(25)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3
InChIKeyNBVHEDZEUSAFOF-UHFFFAOYSA-N
XLogP2.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone (CID 135300400) is [3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone is Cc1nn(C)cc1-c1cnc2ccc(C(=O)N3CCCCC3)cc2n1.
What is the InChIKey of [3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is NBVHEDZEUSAFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-15(12-23(2)22-13)18-11-20-16-7-6-14(10-17(16)21-18)19(25)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3.
What are the key properties of [3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).