3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one

C27H32FN3O3S — CID 19437793

IUPAC3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCN4CCOCC4)ccc32)CC1
InChIInChI=1S/C27H32FN3O3S/c28-23-4-2-21(3-5-23)26(32)22-8-11-29(12-9-22)13-14-31-24-6-1-20(19-25(24)35-27(31)33)7-10-30-15-17-34-18-16-30/h1-6,19,22H,7-18H2
InChIKeyXEZVNGGZTVBYNP-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.67
Rot. Bonds8

About 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one

3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one (PubChem CID 19437793) has the molecular formula C27H32FN3O3S and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one
PubChem CID19437793
Molecular FormulaC27H32FN3O3S
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCN4CCOCC4)ccc32)CC1
InChIInChI=1S/C27H32FN3O3S/c28-23-4-2-21(3-5-23)26(32)22-8-11-29(12-9-22)13-14-31-24-6-1-20(19-25(24)35-27(31)33)7-10-30-15-17-34-18-16-30/h1-6,19,22H,7-18H2
InChIKeyXEZVNGGZTVBYNP-UHFFFAOYSA-N
XLogP3.67
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one with MolForge

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Related Compounds

3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 19437850
6-(4-morpholin-4-ylbutyl)-3-[2-[4-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-one
CID 19437812
3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-benzothiazol-2-one
CID 21424822
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
3-[2-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethyl]-1,3-benzothiazol-2-one
CID 19437836
3-[2-(azepan-1-yl)ethyl]-6-(3-hydroxypropyl)-1,3-benzothiazol-2-one
CID 59630065
1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 18780682
3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one
CID 10017936
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-thieno[3,4-d]pyrimidine-2,4-dione
CID 14500398
3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
CID 19437856
4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide
CID 70256660
3-[2-(azepan-1-yl)ethyl]-6-(3-bromopropyl)-1,3-benzothiazol-2-one
CID 59630101

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one?
The IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one (CID 19437793) is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one is O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCN4CCOCC4)ccc32)CC1.
What is the InChIKey of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one?
The InChIKey is XEZVNGGZTVBYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O3S/c28-23-4-2-21(3-5-23)26(32)22-8-11-29(12-9-22)13-14-31-24-6-1-20(19-25(24)35-27(31)33)7-10-30-15-17-34-18-16-30/h1-6,19,22H,7-18H2.
What are the key properties of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one?
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one has a molecular weight of 497.64 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 19437793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).