[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C23H23FN2O2S — CID 17477211

IUPAC[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1OCc1ccc(F)cc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C23H23FN2O2S/c24-19-9-7-18(8-10-19)17-28-22-6-2-1-5-21(22)23(27)26-13-11-25(12-14-26)16-20-4-3-15-29-20/h1-10,15H,11-14,16-17H2
InChIKeyNSCIOPHSTMTIOM-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.42
Rot. Bonds6

About [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 17477211) has the molecular formula C23H23FN2O2S and a molecular weight of 410.51 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID17477211
Molecular FormulaC23H23FN2O2S
Molecular Weight410.51 g/mol
Exact Mass410.15
IUPAC Name[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1OCc1ccc(F)cc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C23H23FN2O2S/c24-19-9-7-18(8-10-19)17-28-22-6-2-1-5-21(22)23(27)26-13-11-25(12-14-26)16-20-4-3-15-29-20/h1-10,15H,11-14,16-17H2
InChIKeyNSCIOPHSTMTIOM-UHFFFAOYSA-N
XLogP4.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-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

Related Compounds

[4-[(4-fluorophenoxy)methyl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19585133
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-(thiophen-2-ylmethyl)phenyl]methanone
CID 91950349
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
2-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543175
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328462
[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19503215
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 33120529

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 17477211) is [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccccc1OCc1ccc(F)cc1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is NSCIOPHSTMTIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2S/c24-19-9-7-18(8-10-19)17-28-22-6-2-1-5-21(22)23(27)26-13-11-25(12-14-26)16-20-4-3-15-29-20/h1-10,15H,11-14,16-17H2.
What are the key properties of [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 410.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17477211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).