(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C19H22N2OS — CID 3239124

IUPAC(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1csc2c1CCCC2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(17-14-23-18-9-5-4-8-16(17)18)21-12-10-20(11-13-21)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKeyBBSQJAKNWSQDDL-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.59
Rot. Bonds2

About (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 3239124) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
PubChem CID3239124
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1csc2c1CCCC2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(17-14-23-18-9-5-4-8-16(17)18)21-12-10-20(11-13-21)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKeyBBSQJAKNWSQDDL-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-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

Related Compounds

Thiofuranylfentanyl
CID 137700027
N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155512662
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 10596978
N-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155562984
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
4-thiophen-3-yl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzamide
CID 155567775
(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
1-(3,4-Dimethylphenyl)-4-(2-thienylcarbonyl)piperazine
CID 893048
[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 969684
1-{4-[4-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
CID 1245607

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 3239124) is (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is O=C(c1csc2c1CCCC2)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The InChIKey is BBSQJAKNWSQDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-19(17-14-23-18-9-5-4-8-16(17)18)21-12-10-20(11-13-21)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
(4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 326.46 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 3239124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).