(3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C15H17FN2O2S — CID 102970960

IUPAC(3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sc3ccc(F)cc3c2N)CC1O
InChIInChI=1S/C15H17FN2O2S/c1-8-4-5-18(7-11(8)19)15(20)14-13(17)10-6-9(16)2-3-12(10)21-14/h2-3,6,8,11,19H,4-5,7,17H2,1H3
InChIKeyNUYHQDWUUXAMNF-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.47
Rot. Bonds1

About (3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102970960) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is (3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID102970960
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name(3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sc3ccc(F)cc3c2N)CC1O
InChIInChI=1S/C15H17FN2O2S/c1-8-4-5-18(7-11(8)19)15(20)14-13(17)10-6-9(16)2-3-12(10)21-14/h2-3,6,8,11,19H,4-5,7,17H2,1H3
InChIKeyNUYHQDWUUXAMNF-UHFFFAOYSA-N
XLogP2.47
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102970975
(3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 94467335
4-(3-amino-5-fluoro-1-benzothiophene-2-carbonyl)piperazine-2,6-dione
CID 66061858
(3-amino-6-bromo-1-benzothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 114908158
(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone
CID 107932238
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 107932607
(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107932212
(4-amino-3,5-dichlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901173
(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901004
(3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 114896329
(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 107112894
(3-amino-5-methyl-1-benzothiophen-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 107932603

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 102970960) is (3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2sc3ccc(F)cc3c2N)CC1O.
What is the InChIKey of (3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is NUYHQDWUUXAMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-8-4-5-18(7-11(8)19)15(20)14-13(17)10-6-9(16)2-3-12(10)21-14/h2-3,6,8,11,19H,4-5,7,17H2,1H3.
What are the key properties of (3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 308.38 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102970960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).