1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone

C25H29N5OS — CID 22332654

IUPAC1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone
SMILESO=C(CSc1nc2ccccc2nc1N1CCCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H29N5OS/c31-23(29-17-15-28(16-18-29)20-9-3-1-4-10-20)19-32-25-24(30-13-7-2-8-14-30)26-21-11-5-6-12-22(21)27-25/h1,3-6,9-12H,2,7-8,13-19H2
InChIKeyLVGAVPXVRAZZMN-UHFFFAOYSA-N
MW447.61 g/mol
LogP4.06
Rot. Bonds5

About 1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone

1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone (PubChem CID 22332654) has the molecular formula C25H29N5OS and a molecular weight of 447.61 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone
PubChem CID22332654
Molecular FormulaC25H29N5OS
Molecular Weight447.61 g/mol
Exact Mass447.21
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone
SMILESO=C(CSc1nc2ccccc2nc1N1CCCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H29N5OS/c31-23(29-17-15-28(16-18-29)20-9-3-1-4-10-20)19-32-25-24(30-13-7-2-8-14-30)26-21-11-5-6-12-22(21)27-25/h1,3-6,9-12H,2,7-8,13-19H2
InChIKeyLVGAVPXVRAZZMN-UHFFFAOYSA-N
XLogP4.06
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone with MolForge

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Related Compounds

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-(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-Fluorophenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332536
N-(3,5-Dimethylphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332537
N-(4-Methylphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332560
2-{[3-(2,6-Dimethylmorpholin-4-YL)quinoxalin-2-YL]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 22332566

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone (CID 22332654) is 1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone is O=C(CSc1nc2ccccc2nc1N1CCCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone?
The InChIKey is LVGAVPXVRAZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5OS/c31-23(29-17-15-28(16-18-29)20-9-3-1-4-10-20)19-32-25-24(30-13-7-2-8-14-30)26-21-11-5-6-12-22(21)27-25/h1,3-6,9-12H,2,7-8,13-19H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone?
1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone has a molecular weight of 447.61 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone is sourced from PubChem (CID 22332654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).