piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone

C18H17N5O — CID 135300356

IUPACpiperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2ncc(-c3cncnc3)nc2c1)N1CCCCC1
InChIInChI=1S/C18H17N5O/c24-18(23-6-2-1-3-7-23)13-4-5-15-16(8-13)22-17(11-21-15)14-9-19-12-20-10-14/h4-5,8-12H,1-3,6-7H2
InChIKeyVEUBXBRCHXSNJG-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.71
Rot. Bonds2

About piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone

piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone (PubChem CID 135300356) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone
PubChem CID135300356
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Namepiperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2ncc(-c3cncnc3)nc2c1)N1CCCCC1
InChIInChI=1S/C18H17N5O/c24-18(23-6-2-1-3-7-23)13-4-5-15-16(8-13)22-17(11-21-15)14-9-19-12-20-10-14/h4-5,8-12H,1-3,6-7H2
InChIKeyVEUBXBRCHXSNJG-UHFFFAOYSA-N
XLogP2.71
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone?
The IUPAC name of piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone (CID 135300356) is piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone?
The canonical SMILES for piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone is O=C(c1ccc2ncc(-c3cncnc3)nc2c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone?
The InChIKey is VEUBXBRCHXSNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(23-6-2-1-3-7-23)13-4-5-15-16(8-13)22-17(11-21-15)14-9-19-12-20-10-14/h4-5,8-12H,1-3,6-7H2.
What are the key properties of piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone?
piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone has a molecular weight of 319.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone is sourced from PubChem (CID 135300356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).