[4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone

C23H21FN2O2S — CID 20877714

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESCc1cccc2c1-c1sc(C(=O)N3CCN(c4ccccc4F)CC3)cc1CO2
InChIInChI=1S/C23H21FN2O2S/c1-15-5-4-8-19-21(15)22-16(14-28-19)13-20(29-22)23(27)26-11-9-25(10-12-26)18-7-3-2-6-17(18)24/h2-8,13H,9-12,14H2,1H3
InChIKeyLALXRLZBNZNMJR-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.72
Rot. Bonds2

About [4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone (PubChem CID 20877714) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone
PubChem CID20877714
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESCc1cccc2c1-c1sc(C(=O)N3CCN(c4ccccc4F)CC3)cc1CO2
InChIInChI=1S/C23H21FN2O2S/c1-15-5-4-8-19-21(15)22-16(14-28-19)13-20(29-22)23(27)26-11-9-25(10-12-26)18-7-3-2-6-17(18)24/h2-8,13H,9-12,14H2,1H3
InChIKeyLALXRLZBNZNMJR-UHFFFAOYSA-N
XLogP4.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone (CID 20877714) is [4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone is Cc1cccc2c1-c1sc(C(=O)N3CCN(c4ccccc4F)CC3)cc1CO2.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone?
The InChIKey is LALXRLZBNZNMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c1-15-5-4-8-19-21(15)22-16(14-28-19)13-20(29-22)23(27)26-11-9-25(10-12-26)18-7-3-2-6-17(18)24/h2-8,13H,9-12,14H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone has a molecular weight of 408.50 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone is sourced from PubChem (CID 20877714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).