[4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate

C15H20FNO3S — CID 175261398

IUPAC[4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(=O)c2ccc(F)s2)CC1
InChIInChI=1S/C15H20FNO3S/c1-15(2,3)14(19)20-17-8-6-10(7-9-17)13(18)11-4-5-12(16)21-11/h4-5,10H,6-9H2,1-3H3
InChIKeyJASUDIJQXRFAKH-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.29
Rot. Bonds3

About [4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 175261398) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is [4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID175261398
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name[4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(=O)c2ccc(F)s2)CC1
InChIInChI=1S/C15H20FNO3S/c1-15(2,3)14(19)20-17-8-6-10(7-9-17)13(18)11-4-5-12(16)21-11/h4-5,10H,6-9H2,1-3H3
InChIKeyJASUDIJQXRFAKH-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174578442
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174802403
[(3R)-3-(4-chloro-3-fluorobenzoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174803573
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174848374
methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate
CID 174782920
[(3S)-3-acetylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174712806
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174977791
5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
CID 84720733
[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174667909

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 175261398) is [4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(C(=O)c2ccc(F)s2)CC1.
What is the InChIKey of [4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is JASUDIJQXRFAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-15(2,3)14(19)20-17-8-6-10(7-9-17)13(18)11-4-5-12(16)21-11/h4-5,10H,6-9H2,1-3H3.
What are the key properties of [4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 313.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175261398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).