2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide

C18H24N4OS — CID 15988345

IUPAC2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C18H24N4OS/c1-13(2)19-16(23)12-24-18-17(22-10-6-3-7-11-22)20-14-8-4-5-9-15(14)21-18/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,23)
InChIKeyCRWRDSLAHIUSDK-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.24
Rot. Bonds5

About 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide

2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 15988345) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide
PubChem CID15988345
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C18H24N4OS/c1-13(2)19-16(23)12-24-18-17(22-10-6-3-7-11-22)20-14-8-4-5-9-15(14)21-18/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,23)
InChIKeyCRWRDSLAHIUSDK-UHFFFAOYSA-N
XLogP3.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-{2-[(3-Methylquinoxalin-2-yl)sulfanyl]acetyl}-1-phenylurea
CID 35502062
N-butyl-3-methylsulfonylquinoxalin-2-amine
CID 118726528
2-({2-[4-(4-Methylpyridin-2-yl)piperazin-1-yl]-2-oxoethyl}thio)-3-piperidin-1-ylquinoxaline
CID 3244198
N-(3-ethylphenyl)-2-((3-(piperidin-1-yl)quinoxalin-2-yl)thio)acetamide
CID 15988512
N-(4-Butylphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991419
N-(3-Methylphenyl)-2-{[3-(4-methylpiperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991424
N-(4-Butylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991436
N-[4-(acetylamino)phenyl]-2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]thio}acetamide
CID 15991457
N~1~-(2-ethyl-6-methylphenyl)-2-[(3-morpholino-2-quinoxalinyl)sulfanyl]acetamide
CID 15991458
N-(3-Methylphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 16956475
N-(4-Ethylphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332532
N-[4-(Propan-2-YL)phenyl]-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332533

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide (CID 15988345) is 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nc2ccccc2nc1N1CCCCC1.
What is the InChIKey of 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is CRWRDSLAHIUSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13(2)19-16(23)12-24-18-17(22-10-6-3-7-11-22)20-14-8-4-5-9-15(14)21-18/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,23).
What are the key properties of 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide?
2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 344.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 15988345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).