[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone

C22H22N2O2S — CID 112800363

IUPAC[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
SMILESCc1ccc(-c2ccsc2C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16-2-4-17(5-3-16)20-10-15-27-21(20)22(26)24-13-11-23(12-14-24)18-6-8-19(25)9-7-18/h2-10,15,25H,11-14H2,1H3
InChIKeyINBAQZAFXDODJF-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.39
Rot. Bonds3

About [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone

[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone (PubChem CID 112800363) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
PubChem CID112800363
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
SMILESCc1ccc(-c2ccsc2C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16-2-4-17(5-3-16)20-10-15-27-21(20)22(26)24-13-11-23(12-14-24)18-6-8-19(25)9-7-18/h2-10,15,25H,11-14H2,1H3
InChIKeyINBAQZAFXDODJF-UHFFFAOYSA-N
XLogP4.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone with MolForge

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Related Compounds

[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 55917383
[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134044933
1,4-diazepan-1-yl-[3-(4-methylphenyl)thiophen-2-yl]methanone;hydrochloride
CID 119414236
[1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51255293
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 31475610
N-cyclohexyl-N-methyl-4-[3-(4-methylphenyl)thiophene-2-carbonyl]piperazine-1-sulfonamide
CID 55599951
(3-phenylthiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 24513867
(3-chlorothiophen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856426
N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336035
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 78768210

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone (CID 112800363) is [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone is Cc1ccc(-c2ccsc2C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone?
The InChIKey is INBAQZAFXDODJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-16-2-4-17(5-3-16)20-10-15-27-21(20)22(26)24-13-11-23(12-14-24)18-6-8-19(25)9-7-18/h2-10,15,25H,11-14H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone?
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone has a molecular weight of 378.50 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 112800363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).