[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone

C23H23Cl2FN4OS — CID 90609638

IUPAC[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nc3c(F)cccc3s2)CC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H23Cl2FN4OS/c24-17-5-4-16(14-18(17)25)28-10-12-29(13-11-28)22(31)15-6-8-30(9-7-15)23-27-21-19(26)2-1-3-20(21)32-23/h1-5,14-15H,6-13H2
InChIKeyFOKNHDNSDANXSS-UHFFFAOYSA-N
MW493.44 g/mol
LogP5.31
Rot. Bonds3

About [4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone

[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone (PubChem CID 90609638) has the molecular formula C23H23Cl2FN4OS and a molecular weight of 493.44 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
PubChem CID90609638
Molecular FormulaC23H23Cl2FN4OS
Molecular Weight493.44 g/mol
Exact Mass492.10
IUPAC Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nc3c(F)cccc3s2)CC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H23Cl2FN4OS/c24-17-5-4-16(14-18(17)25)28-10-12-29(13-11-28)22(31)15-6-8-30(9-7-15)23-27-21-19(26)2-1-3-20(21)32-23/h1-5,14-15H,6-13H2
InChIKeyFOKNHDNSDANXSS-UHFFFAOYSA-N
XLogP5.31
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.44
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-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

[1-(4-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 90604520
(2-chlorophenyl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539567
[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 90610538
1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 7539562
1-[1-(4-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carbonyl]piperidine-4-carboxamide
CID 90604387
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 16861814
1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 90609454
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 90609526
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 43982501
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 90609862
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 90609854
N-cyclopentyl-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609496

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone (CID 90609638) is [4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2nc3c(F)cccc3s2)CC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is FOKNHDNSDANXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN4OS/c24-17-5-4-16(14-18(17)25)28-10-12-29(13-11-28)22(31)15-6-8-30(9-7-15)23-27-21-19(26)2-1-3-20(21)32-23/h1-5,14-15H,6-13H2.
What are the key properties of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 493.44 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 90609638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).