(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone

C18H18FN3OS — CID 95312877

IUPAC(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@H](n3ccnc3)C2)sc2cccc(F)c12
InChIInChI=1S/C18H18FN3OS/c1-12-16-14(19)5-2-6-15(16)24-17(12)18(23)21-8-3-4-13(10-21)22-9-7-20-11-22/h2,5-7,9,11,13H,3-4,8,10H2,1H3/t13-/m1/s1
InChIKeyGYWNHUIVYHICID-CYBMUJFWSA-N
MW343.43 g/mol
LogP4.02
Rot. Bonds2

About (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone

(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95312877) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
PubChem CID95312877
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@H](n3ccnc3)C2)sc2cccc(F)c12
InChIInChI=1S/C18H18FN3OS/c1-12-16-14(19)5-2-6-15(16)24-17(12)18(23)21-8-3-4-13(10-21)22-9-7-20-11-22/h2,5-7,9,11,13H,3-4,8,10H2,1H3/t13-/m1/s1
InChIKeyGYWNHUIVYHICID-CYBMUJFWSA-N
XLogP4.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone
CID 95312825
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 35809689
azepan-1-yl-(4-fluoro-3-methyl-1-benzothiophen-2-yl)methanone
CID 36675871
(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341019
(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95340985
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 95345476
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
CID 95319281
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 95340385
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622
1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355489
[(2R)-1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 97002963

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone (CID 95312877) is (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone is Cc1c(C(=O)N2CCC[C@@H](n3ccnc3)C2)sc2cccc(F)c12.
What is the InChIKey of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is GYWNHUIVYHICID-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-12-16-14(19)5-2-6-15(16)24-17(12)18(23)21-8-3-4-13(10-21)22-9-7-20-11-22/h2,5-7,9,11,13H,3-4,8,10H2,1H3/t13-/m1/s1.
What are the key properties of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95312877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).