[(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone

C21H18FNO2S — CID 69453906

IUPAC[(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1
InChIInChI=1S/C21H18FNO2S/c22-17-9-7-14(8-10-17)20(24)16-5-3-11-23(13-16)21(25)19-12-15-4-1-2-6-18(15)26-19/h1-2,4,6-10,12,16H,3,5,11,13H2/t16-/m0/s1
InChIKeyHCYPCAVOOVWQNM-INIZCTEOSA-N
MW367.45 g/mol
LogP4.78
Rot. Bonds3

About [(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone

[(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 69453906) has the molecular formula C21H18FNO2S and a molecular weight of 367.45 g/mol. Its IUPAC name is [(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID69453906
Molecular FormulaC21H18FNO2S
Molecular Weight367.45 g/mol
Exact Mass367.10
IUPAC Name[(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1
InChIInChI=1S/C21H18FNO2S/c22-17-9-7-14(8-10-17)20(24)16-5-3-11-23(13-16)21(25)19-12-15-4-1-2-6-18(15)26-19/h1-2,4,6-10,12,16H,3,5,11,13H2/t16-/m0/s1
InChIKeyHCYPCAVOOVWQNM-INIZCTEOSA-N
XLogP4.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-(1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919503
[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 69455246
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carbothioamide
CID 81115576
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
(3R)-N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 97017532
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 120727554
1-benzothiophen-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124957234
1-(5-amino-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide
CID 61091669
(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 51888649
[(3R)-3-aminopyrrolidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 119409997
1-benzothiophen-2-yl-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403286

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone (CID 69453906) is [(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1.
What is the InChIKey of [(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is HCYPCAVOOVWQNM-INIZCTEOSA-N. The full InChI is InChI=1S/C21H18FNO2S/c22-17-9-7-14(8-10-17)20(24)16-5-3-11-23(13-16)21(25)19-12-15-4-1-2-6-18(15)26-19/h1-2,4,6-10,12,16H,3,5,11,13H2/t16-/m0/s1.
What are the key properties of [(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
[(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 367.45 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 69453906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).