(4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone

C24H34N4OS — CID 90611834

IUPAC(4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
SMILESCc1ccc2nc(N3CCCC(C(=O)N4CCN(C5CCCCC5)CC4)C3)sc2c1
InChIInChI=1S/C24H34N4OS/c1-18-9-10-21-22(16-18)30-24(25-21)28-11-5-6-19(17-28)23(29)27-14-12-26(13-15-27)20-7-3-2-4-8-20/h9-10,16,19-20H,2-8,11-15,17H2,1H3
InChIKeyNPJFLDBNIUELNH-UHFFFAOYSA-N
MW426.63 g/mol
LogP4.30
Rot. Bonds3

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

(4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone (PubChem CID 90611834) has the molecular formula C24H34N4OS and a molecular weight of 426.63 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
PubChem CID90611834
Molecular FormulaC24H34N4OS
Molecular Weight426.63 g/mol
Exact Mass426.25
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
SMILESCc1ccc2nc(N3CCCC(C(=O)N4CCN(C5CCCCC5)CC4)C3)sc2c1
InChIInChI=1S/C24H34N4OS/c1-18-9-10-21-22(16-18)30-24(25-21)28-11-5-6-19(17-28)23(29)27-14-12-26(13-15-27)20-7-3-2-4-8-20/h9-10,16,19-20H,2-8,11-15,17H2,1H3
InChIKeyNPJFLDBNIUELNH-UHFFFAOYSA-N
XLogP4.30
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663
ethyl 4-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 90611667
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
1-[4-[4-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 90611813
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
methyl 1-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90610143
N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171335662
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90612052
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90612025
1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol
CID 70705789
(4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90610151

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone (CID 90611834) is (4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone is Cc1ccc2nc(N3CCCC(C(=O)N4CCN(C5CCCCC5)CC4)C3)sc2c1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?
The InChIKey is NPJFLDBNIUELNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4OS/c1-18-9-10-21-22(16-18)30-24(25-21)28-11-5-6-19(17-28)23(29)27-14-12-26(13-15-27)20-7-3-2-4-8-20/h9-10,16,19-20H,2-8,11-15,17H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone has a molecular weight of 426.63 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 90611834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).