4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide

C18H23FN2OS — CID 55715502

IUPAC4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCCC(C)C2)sc2cccc(F)c12
InChIInChI=1S/C18H23FN2OS/c1-12-5-4-9-21(11-12)10-8-20-18(22)17-13(2)16-14(19)6-3-7-15(16)23-17/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,20,22)
InChIKeyARAQMHDBSLMTQI-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.81
Rot. Bonds4

About 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 55715502) has the molecular formula C18H23FN2OS and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID55715502
Molecular FormulaC18H23FN2OS
Molecular Weight334.46 g/mol
Exact Mass334.15
IUPAC Name4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCCC(C)C2)sc2cccc(F)c12
InChIInChI=1S/C18H23FN2OS/c1-12-5-4-9-21(11-12)10-8-20-18(22)17-13(2)16-14(19)6-3-7-15(16)23-17/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,20,22)
InChIKeyARAQMHDBSLMTQI-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 55723575
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062125
2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 94115528
1-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 97244814
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 66004913
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 86944805
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 103877257
(2S)-1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136212

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 55715502) is 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCCN2CCCC(C)C2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ARAQMHDBSLMTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2OS/c1-12-5-4-9-21(11-12)10-8-20-18(22)17-13(2)16-14(19)6-3-7-15(16)23-17/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,20,22).
What are the key properties of 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55715502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).