(4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone

C24H27FN4OS — CID 90610151

IUPAC(4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2nc3ccc(F)cc3s2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H27FN4OS/c25-20-8-9-21-22(15-20)31-24(26-21)29-10-4-7-19(17-29)23(30)28-13-11-27(12-14-28)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19H,4,7,10-14,16-17H2
InChIKeyILAQEZLWIUDUQB-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.00
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone

(4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone (PubChem CID 90610151) has the molecular formula C24H27FN4OS and a molecular weight of 438.57 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
PubChem CID90610151
Molecular FormulaC24H27FN4OS
Molecular Weight438.57 g/mol
Exact Mass438.19
IUPAC Name(4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2nc3ccc(F)cc3s2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H27FN4OS/c25-20-8-9-21-22(15-20)31-24(26-21)29-10-4-7-19(17-29)23(30)28-13-11-27(12-14-28)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19H,4,7,10-14,16-17H2
InChIKeyILAQEZLWIUDUQB-UHFFFAOYSA-N
XLogP4.00
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667756
methyl 1-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90610143
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90610343
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653
(4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 20883791
ethyl 4-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 90611667
(4-benzylpiperidin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667758
N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883827
[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 90610065
N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide
CID 53201163
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663
(4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90611834

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone (CID 90610151) is (4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone is O=C(C1CCCN(c2nc3ccc(F)cc3s2)C1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?
The InChIKey is ILAQEZLWIUDUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4OS/c25-20-8-9-21-22(15-20)31-24(26-21)29-10-4-7-19(17-29)23(30)28-13-11-27(12-14-28)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19H,4,7,10-14,16-17H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?
(4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone has a molecular weight of 438.57 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 90610151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).