1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

C20H19FN2O2S — CID 156586008

IUPAC1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc2ncsc12)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN2O2S/c21-15-6-8-16(9-7-15)25-12-14-3-2-10-23(11-14)20(24)17-4-1-5-18-19(17)26-13-22-18/h1,4-9,13-14H,2-3,10-12H2
InChIKeyRELMEBSDNJRKJT-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.37
Rot. Bonds4

About 1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 156586008) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
PubChem CID156586008
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc2ncsc12)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN2O2S/c21-15-6-8-16(9-7-15)25-12-14-3-2-10-23(11-14)20(24)17-4-1-5-18-19(17)26-13-22-18/h1,4-9,13-14H,2-3,10-12H2
InChIKeyRELMEBSDNJRKJT-UHFFFAOYSA-N
XLogP4.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 96577246
5-[(3S)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95867474
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[3-(hydroxymethyl)phenyl]methanone
CID 95885966
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 96576627
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70719761
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
(2-ethoxyphenyl)-[3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 67405945
[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (CID 156586008) is 1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is O=C(c1cccc2ncsc12)N1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of 1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is RELMEBSDNJRKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c21-15-6-8-16(9-7-15)25-12-14-3-2-10-23(11-14)20(24)17-4-1-5-18-19(17)26-13-22-18/h1,4-9,13-14H,2-3,10-12H2.
What are the key properties of 1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 156586008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).