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

C17H26N2O2S — CID 94658858

IUPAC2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(C[C@@H](O)c2cccs2)CC1
InChIInChI=1S/C17H26N2O2S/c20-15(16-6-3-11-22-16)13-18-7-9-19(10-8-18)17(21)12-14-4-1-2-5-14/h3,6,11,14-15,20H,1-2,4-5,7-10,12-13H2/t15-/m1/s1
InChIKeyXYQFSCQHSXBBNX-OAHLLOKOSA-N
MW322.47 g/mol
LogP2.51
Rot. Bonds5

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

2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone (PubChem CID 94658858) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone
PubChem CID94658858
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(C[C@@H](O)c2cccs2)CC1
InChIInChI=1S/C17H26N2O2S/c20-15(16-6-3-11-22-16)13-18-7-9-19(10-8-18)17(21)12-14-4-1-2-5-14/h3,6,11,14-15,20H,1-2,4-5,7-10,12-13H2/t15-/m1/s1
InChIKeyXYQFSCQHSXBBNX-OAHLLOKOSA-N
XLogP2.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 71783014
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 71782994
N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride
CID 71783389
2-benzylsulfanyl-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 71782988
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-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 94658873
2-(4-chlorophenoxy)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 90603399
2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783561
(E)-1-[4-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 94658848
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 90603359

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone (CID 94658858) is 2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone is O=C(CC1CCCC1)N1CCN(C[C@@H](O)c2cccs2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone?
The InChIKey is XYQFSCQHSXBBNX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-15(16-6-3-11-22-16)13-18-7-9-19(10-8-18)17(21)12-14-4-1-2-5-14/h3,6,11,14-15,20H,1-2,4-5,7-10,12-13H2/t15-/m1/s1.
What are the key properties of 2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone has a molecular weight of 322.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 94658858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).