[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone

C19H20N4O2S — CID 90603450

IUPAC[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C19H20N4O2S/c24-17(18-6-3-11-26-18)13-22-7-9-23(10-8-22)19(25)16-12-20-14-4-1-2-5-15(14)21-16/h1-6,11-12,17,24H,7-10,13H2
InChIKeyFDHBHTDIWAPTLQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.18
Rot. Bonds4

About [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone

[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 90603450) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID90603450
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C19H20N4O2S/c24-17(18-6-3-11-26-18)13-22-7-9-23(10-8-22)19(25)16-12-20-14-4-1-2-5-15(14)21-16/h1-6,11-12,17,24H,7-10,13H2
InChIKeyFDHBHTDIWAPTLQ-UHFFFAOYSA-N
XLogP2.18
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90603452
2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 90603321
(2-bromophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782979
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 90603326
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 90603359
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039057
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 71782994
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 47067486
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone (CID 90603450) is [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone is O=C(c1cnc2ccccc2n1)N1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is FDHBHTDIWAPTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-17(18-6-3-11-26-18)13-22-7-9-23(10-8-22)19(25)16-12-20-14-4-1-2-5-15(14)21-16/h1-6,11-12,17,24H,7-10,13H2.
What are the key properties of [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 368.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 90603450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).