1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone

C23H26N2O2S — CID 24575268

IUPAC1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCOc1ccc(CCC2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1
InChIInChI=1S/C23H26N2O2S/c1-2-27-20-8-5-17(6-9-20)3-4-18-11-13-25(14-12-18)23(26)19-7-10-21-22(15-19)28-16-24-21/h5-10,15-16,18H,2-4,11-14H2,1H3
InChIKeyIOVWESBVEFEQNJ-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.18
Rot. Bonds6

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

1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 24575268) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID24575268
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCOc1ccc(CCC2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1
InChIInChI=1S/C23H26N2O2S/c1-2-27-20-8-5-17(6-9-20)3-4-18-11-13-25(14-12-18)23(26)19-7-10-21-22(15-19)28-16-24-21/h5-10,15-16,18H,2-4,11-14H2,1H3
InChIKeyIOVWESBVEFEQNJ-UHFFFAOYSA-N
XLogP5.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzothiazol-6-yl-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 47017726
5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 24586303
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 33304479
1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
CID 119562736
methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
CID 43404805
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24575278
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 46576805
3-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 119275974
2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 17409629
1,3-benzothiazol-6-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7601291
(2-chloro-5-methylsulfonylphenyl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55479704
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone
CID 24575263

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone (CID 24575268) is 1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone is CCOc1ccc(CCC2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is IOVWESBVEFEQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-2-27-20-8-5-17(6-9-20)3-4-18-11-13-25(14-12-18)23(26)19-7-10-21-22(15-19)28-16-24-21/h5-10,15-16,18H,2-4,11-14H2,1H3.
What are the key properties of 1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 394.54 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 24575268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).