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

C19H18N4O — CID 135300353

IUPACpiperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2ncc(-c3cccnc3)nc2c1)N1CCCCC1
InChIInChI=1S/C19H18N4O/c24-19(23-9-2-1-3-10-23)14-6-7-16-17(11-14)22-18(13-21-16)15-5-4-8-20-12-15/h4-8,11-13H,1-3,9-10H2
InChIKeyXRCIDPAXSCFUAI-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.32
Rot. Bonds2

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

piperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone (PubChem CID 135300353) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is piperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone
PubChem CID135300353
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Namepiperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2ncc(-c3cccnc3)nc2c1)N1CCCCC1
InChIInChI=1S/C19H18N4O/c24-19(23-9-2-1-3-10-23)14-6-7-16-17(11-14)22-18(13-21-16)15-5-4-8-20-12-15/h4-8,11-13H,1-3,9-10H2
InChIKeyXRCIDPAXSCFUAI-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-3-ylquinoxalin-6-yl)methanone?
The IUPAC name of piperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone (CID 135300353) is piperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone?
The canonical SMILES for piperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone is O=C(c1ccc2ncc(-c3cccnc3)nc2c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone?
The InChIKey is XRCIDPAXSCFUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(23-9-2-1-3-10-23)14-6-7-16-17(11-14)22-18(13-21-16)15-5-4-8-20-12-15/h4-8,11-13H,1-3,9-10H2.
What are the key properties of piperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone?
piperidin-1-yl-(3-pyridin-3-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-3-ylquinoxalin-6-yl)methanone is sourced from PubChem (CID 135300353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).