piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone

C19H18N4O — CID 135300396

IUPACpiperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2ncc(-c3ccccn3)nc2c1)N1CCCCC1
InChIInChI=1S/C19H18N4O/c24-19(23-10-4-1-5-11-23)14-7-8-16-17(12-14)22-18(13-21-16)15-6-2-3-9-20-15/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeyCBCJBKOOJBXQGF-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.32
Rot. Bonds2

About piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone

piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone (PubChem CID 135300396) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone
PubChem CID135300396
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Namepiperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2ncc(-c3ccccn3)nc2c1)N1CCCCC1
InChIInChI=1S/C19H18N4O/c24-19(23-10-4-1-5-11-23)14-7-8-16-17(12-14)22-18(13-21-16)15-6-2-3-9-20-15/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeyCBCJBKOOJBXQGF-UHFFFAOYSA-N
XLogP3.32
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone?
The IUPAC name of piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone (CID 135300396) is piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone?
The canonical SMILES for piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone is O=C(c1ccc2ncc(-c3ccccn3)nc2c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone?
The InChIKey is CBCJBKOOJBXQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(23-10-4-1-5-11-23)14-7-8-16-17(12-14)22-18(13-21-16)15-6-2-3-9-20-15/h2-3,6-9,12-13H,1,4-5,10-11H2.
What are the key properties of piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone?
piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone is sourced from PubChem (CID 135300396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).