N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide

C24H22N4OS — CID 11258496

IUPACN-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide
SMILESO=C(Nc1ccc2nc(N3CCCCC3)c(-c3cccs3)nc2c1)c1ccccc1
InChIInChI=1S/C24H22N4OS/c29-24(17-8-3-1-4-9-17)25-18-11-12-19-20(16-18)26-22(21-10-7-15-30-21)23(27-19)28-13-5-2-6-14-28/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,25,29)
InChIKeyIEKQEBDEYIOVNI-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.60
Rot. Bonds4

About N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide

N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide (PubChem CID 11258496) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide.

Molecular Properties

Compound NameN-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide
PubChem CID11258496
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC NameN-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide
SMILESO=C(Nc1ccc2nc(N3CCCCC3)c(-c3cccs3)nc2c1)c1ccccc1
InChIInChI=1S/C24H22N4OS/c29-24(17-8-3-1-4-9-17)25-18-11-12-19-20(16-18)26-22(21-10-7-15-30-21)23(27-19)28-13-5-2-6-14-28/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,25,29)
InChIKeyIEKQEBDEYIOVNI-UHFFFAOYSA-N
XLogP5.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide
CID 71416123
N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 2925607
N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 2300708
1-(1-adamantyl)-3-(2,3-dithiophen-2-ylquinoxalin-6-yl)urea
CID 138514843
propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate
CID 71295982
(2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 129254431
N-naphthalen-2-yl-4-thiophen-2-ylbenzamide
CID 59673380
2,3-dithiophen-2-ylquinoxalin-6-ol
CID 142989779
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365174
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide?
The IUPAC name of N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide (CID 11258496) is N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide.
What is the SMILES notation for N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide?
The canonical SMILES for N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide is O=C(Nc1ccc2nc(N3CCCCC3)c(-c3cccs3)nc2c1)c1ccccc1.
What is the InChIKey of N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide?
The InChIKey is IEKQEBDEYIOVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c29-24(17-8-3-1-4-9-17)25-18-11-12-19-20(16-18)26-22(21-10-7-15-30-21)23(27-19)28-13-5-2-6-14-28/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,25,29).
What are the key properties of N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide?
N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide has a molecular weight of 414.53 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide is sourced from PubChem (CID 11258496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).