(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone

C19H22N2O2S — CID 126793221

IUPAC(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2c(c1O)CCCC2)N1CCN(c2cccs2)CC1
InChIInChI=1S/C19H22N2O2S/c22-18-15-5-2-1-4-14(15)7-8-16(18)19(23)21-11-9-20(10-12-21)17-6-3-13-24-17/h3,6-8,13,22H,1-2,4-5,9-12H2
InChIKeyDVQPFWUHMQWUQI-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.29
Rot. Bonds2

About (1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone

(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone (PubChem CID 126793221) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
PubChem CID126793221
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2c(c1O)CCCC2)N1CCN(c2cccs2)CC1
InChIInChI=1S/C19H22N2O2S/c22-18-15-5-2-1-4-14(15)7-8-16(18)19(23)21-11-9-20(10-12-21)17-6-3-13-24-17/h3,6-8,13,22H,1-2,4-5,9-12H2
InChIKeyDVQPFWUHMQWUQI-UHFFFAOYSA-N
XLogP3.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone (CID 126793221) is (1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone is O=C(c1ccc2c(c1O)CCCC2)N1CCN(c2cccs2)CC1.
What is the InChIKey of (1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The InChIKey is DVQPFWUHMQWUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-18-15-5-2-1-4-14(15)7-8-16(18)19(23)21-11-9-20(10-12-21)17-6-3-13-24-17/h3,6-8,13,22H,1-2,4-5,9-12H2.
What are the key properties of (1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone has a molecular weight of 342.46 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 126793221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).