N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide

C20H20N4O — CID 33378138

IUPACN-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2cnc3ccccc3n2)CC1)c1ccccc1
InChIInChI=1S/C20H20N4O/c25-20(15-6-2-1-3-7-15)22-16-10-12-24(13-11-16)19-14-21-17-8-4-5-9-18(17)23-19/h1-9,14,16H,10-13H2,(H,22,25)
InChIKeyPNRINIJKCMUWKA-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.03
Rot. Bonds3

About N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide

N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide (PubChem CID 33378138) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
PubChem CID33378138
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2cnc3ccccc3n2)CC1)c1ccccc1
InChIInChI=1S/C20H20N4O/c25-20(15-6-2-1-3-7-15)22-16-10-12-24(13-11-16)19-14-21-17-8-4-5-9-18(17)23-19/h1-9,14,16H,10-13H2,(H,22,25)
InChIKeyPNRINIJKCMUWKA-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide (CID 33378138) is N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide is O=C(NC1CCN(c2cnc3ccccc3n2)CC1)c1ccccc1.
What is the InChIKey of N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is PNRINIJKCMUWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(15-6-2-1-3-7-15)22-16-10-12-24(13-11-16)19-14-21-17-8-4-5-9-18(17)23-19/h1-9,14,16H,10-13H2,(H,22,25).
What are the key properties of N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide?
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 33378138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).