methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate

C16H16FNO3S — CID 51153857

IUPACmethyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3c(F)cccc3s2)CC1
InChIInChI=1S/C16H16FNO3S/c1-21-16(20)10-5-7-18(8-6-10)15(19)14-9-11-12(17)3-2-4-13(11)22-14/h2-4,9-10H,5-8H2,1H3
InChIKeyNWAKWYDNJXQBPG-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.07
Rot. Bonds2

About methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate

methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 51153857) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate
PubChem CID51153857
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Namemethyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3c(F)cccc3s2)CC1
InChIInChI=1S/C16H16FNO3S/c1-21-16(20)10-5-7-18(8-6-10)15(19)14-9-11-12(17)3-2-4-13(11)22-14/h2-4,9-10H,5-8H2,1H3
InChIKeyNWAKWYDNJXQBPG-UHFFFAOYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 51888649
(4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51456697
[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144873
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 17437748
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245
2-[1-(4-fluoro-1-benzothiophene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604582
[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 129160685
methyl (3S)-1-(1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919503
2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 30292798
N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 43017589
2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 43017477
(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 43057357

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate (CID 51153857) is methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc3c(F)cccc3s2)CC1.
What is the InChIKey of methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is NWAKWYDNJXQBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-21-16(20)10-5-7-18(8-6-10)15(19)14-9-11-12(17)3-2-4-13(11)22-14/h2-4,9-10H,5-8H2,1H3.
What are the key properties of methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate?
methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 51153857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).