N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide

C19H24N4OS — CID 74234094

IUPACN-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide
SMILESO=C(NC1CCN(C2CCSCC2)CC1)c1ccc2nccnc2c1
InChIInChI=1S/C19H24N4OS/c24-19(14-1-2-17-18(13-14)21-8-7-20-17)22-15-3-9-23(10-4-15)16-5-11-25-12-6-16/h1-2,7-8,13,15-16H,3-6,9-12H2,(H,22,24)
InChIKeyFULBIDMBUOMJEF-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.72
Rot. Bonds3

About N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide

N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide (PubChem CID 74234094) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide
PubChem CID74234094
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide
SMILESO=C(NC1CCN(C2CCSCC2)CC1)c1ccc2nccnc2c1
InChIInChI=1S/C19H24N4OS/c24-19(14-1-2-17-18(13-14)21-8-7-20-17)22-15-3-9-23(10-4-15)16-5-11-25-12-6-16/h1-2,7-8,13,15-16H,3-6,9-12H2,(H,22,24)
InChIKeyFULBIDMBUOMJEF-UHFFFAOYSA-N
XLogP2.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 74246648
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
CID 62876064
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 62161092
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-6-carboxamide
CID 126934963
3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 74237167
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
N-(1-cyclopropylpiperidin-4-yl)-4-iodobenzamide
CID 60730497
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005
1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide
CID 128877935

Frequently Asked Questions

What is the IUPAC name of N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide?
The IUPAC name of N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide (CID 74234094) is N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide is O=C(NC1CCN(C2CCSCC2)CC1)c1ccc2nccnc2c1.
What is the InChIKey of N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide?
The InChIKey is FULBIDMBUOMJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-19(14-1-2-17-18(13-14)21-8-7-20-17)22-15-3-9-23(10-4-15)16-5-11-25-12-6-16/h1-2,7-8,13,15-16H,3-6,9-12H2,(H,22,24).
What are the key properties of N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide?
N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide is sourced from PubChem (CID 74234094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).