2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide

C12H19N3O2S — CID 97039057

IUPAC2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(C[C@@H](O)c2cccs2)CC1
InChIInChI=1S/C12H19N3O2S/c13-12(17)9-15-5-3-14(4-6-15)8-10(16)11-2-1-7-18-11/h1-2,7,10,16H,3-6,8-9H2,(H2,13,17)/t10-/m1/s1
InChIKeyLBIREKLCSYQHEN-SNVBAGLBSA-N
MW269.37 g/mol
LogP-0.12
Rot. Bonds5

About 2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide

2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide (PubChem CID 97039057) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
PubChem CID97039057
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(C[C@@H](O)c2cccs2)CC1
InChIInChI=1S/C12H19N3O2S/c13-12(17)9-15-5-3-14(4-6-15)8-10(16)11-2-1-7-18-11/h1-2,7,10,16H,3-6,8-9H2,(H2,13,17)/t10-/m1/s1
InChIKeyLBIREKLCSYQHEN-SNVBAGLBSA-N
XLogP-0.12
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783556
N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride
CID 71783389
(2-bromophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782979
2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783561
N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039064
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 90603359
(E)-1-[4-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 94658848
2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 90603321
2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone
CID 94658858
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 71782994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide (CID 97039057) is 2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide is NC(=O)CN1CCN(C[C@@H](O)c2cccs2)CC1.
What is the InChIKey of 2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide?
The InChIKey is LBIREKLCSYQHEN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-12(17)9-15-5-3-14(4-6-15)8-10(16)11-2-1-7-18-11/h1-2,7,10,16H,3-6,8-9H2,(H2,13,17)/t10-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide?
2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide has a molecular weight of 269.37 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 97039057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).