[4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

C15H22N2O2S — CID 2349442

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)N1CCN(CCO)CC1
InChIInChI=1S/C15H22N2O2S/c18-10-9-16-5-7-17(8-6-16)15(19)14-11-12-3-1-2-4-13(12)20-14/h11,18H,1-10H2
InChIKeyNJIZJRQFBQMLCD-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.38
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (PubChem CID 2349442) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
PubChem CID2349442
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)N1CCN(CCO)CC1
InChIInChI=1S/C15H22N2O2S/c18-10-9-16-5-7-17(8-6-16)15(19)14-11-12-3-1-2-4-13(12)20-14/h11,18H,1-10H2
InChIKeyNJIZJRQFBQMLCD-UHFFFAOYSA-N
XLogP1.38
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
1-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 24979733
6-(cyclohexanecarbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 49873200
5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 58157631
Benzo[b]thiophen-2-yl(morpholino)methanone
CID 2798285
1-(2-Phenylethyl)-4-(2-thienylcarbonyl)piperazine
CID 1246520
2-[2-Oxo-2-((S)-2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethyl]-6,7-dihydro-5H-benzo[b]thiophen-4-one
CID 10067110
1-(5-Methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)isonipecotamide
CID 42601203
4-Prop-2-enylpiperazinyl 4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl ketone
CID 6469292
(4-Methyl-1,4-diazepan-1-yl)(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 6470209
[4-(2-Hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 16239644

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CID 2349442) is [4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is O=C(c1cc2c(s1)CCCC2)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The InChIKey is NJIZJRQFBQMLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-10-9-16-5-7-17(8-6-16)15(19)14-11-12-3-1-2-4-13(12)20-14/h11,18H,1-10H2.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 2349442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).