1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid

C18H18FNO3S — CID 119349477

IUPAC1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid
SMILESCc1sc(C(=O)N2CCC(C(=O)O)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H18FNO3S/c1-11-15(12-2-4-14(19)5-3-12)10-16(24-11)17(21)20-8-6-13(7-9-20)18(22)23/h2-5,10,13H,6-9H2,1H3,(H,22,23)
InChIKeySVABCXHWDNYQSV-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.80
Rot. Bonds3

About 1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid

1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid (PubChem CID 119349477) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid
PubChem CID119349477
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid
SMILESCc1sc(C(=O)N2CCC(C(=O)O)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H18FNO3S/c1-11-15(12-2-4-14(19)5-3-12)10-16(24-11)17(21)20-8-6-13(7-9-20)18(22)23/h2-5,10,13H,6-9H2,1H3,(H,22,23)
InChIKeySVABCXHWDNYQSV-UHFFFAOYSA-N
XLogP3.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid (CID 119349477) is 1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid is Cc1sc(C(=O)N2CCC(C(=O)O)CC2)cc1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is SVABCXHWDNYQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-11-15(12-2-4-14(19)5-3-12)10-16(24-11)17(21)20-8-6-13(7-9-20)18(22)23/h2-5,10,13H,6-9H2,1H3,(H,22,23).
What are the key properties of 1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid?
1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 347.41 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).