2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid

C14H17F2NO4S — CID 119178331

IUPAC2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid
SMILESCc1cc(OC(F)F)c(C(=O)N2CCC(CC(=O)O)CC2)s1
InChIInChI=1S/C14H17F2NO4S/c1-8-6-10(21-14(15)16)12(22-8)13(20)17-4-2-9(3-5-17)7-11(18)19/h6,9,14H,2-5,7H2,1H3,(H,18,19)
InChIKeyFPMONRAKKLOTIM-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.98
Rot. Bonds5

About 2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid

2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid (PubChem CID 119178331) has the molecular formula C14H17F2NO4S and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid
PubChem CID119178331
Molecular FormulaC14H17F2NO4S
Molecular Weight333.36 g/mol
Exact Mass333.08
IUPAC Name2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid
SMILESCc1cc(OC(F)F)c(C(=O)N2CCC(CC(=O)O)CC2)s1
InChIInChI=1S/C14H17F2NO4S/c1-8-6-10(21-14(15)16)12(22-8)13(20)17-4-2-9(3-5-17)7-11(18)19/h6,9,14H,2-5,7H2,1H3,(H,18,19)
InChIKeyFPMONRAKKLOTIM-UHFFFAOYSA-N
XLogP2.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid (CID 119178331) is 2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid is Cc1cc(OC(F)F)c(C(=O)N2CCC(CC(=O)O)CC2)s1.
What is the InChIKey of 2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid?
The InChIKey is FPMONRAKKLOTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4S/c1-8-6-10(21-14(15)16)12(22-8)13(20)17-4-2-9(3-5-17)7-11(18)19/h6,9,14H,2-5,7H2,1H3,(H,18,19).
What are the key properties of 2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid?
2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid has a molecular weight of 333.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).