methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate

C14H19NO4S — CID 78945695

IUPACmethyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1sccc1OC
InChIInChI=1S/C14H19NO4S/c1-18-11-6-8-20-13(11)14(17)15-7-4-3-5-10(15)9-12(16)19-2/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyFWQQAGRPPPZLHC-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.31
Rot. Bonds4

About methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate (PubChem CID 78945695) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate
PubChem CID78945695
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1sccc1OC
InChIInChI=1S/C14H19NO4S/c1-18-11-6-8-20-13(11)14(17)15-7-4-3-5-10(15)9-12(16)19-2/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyFWQQAGRPPPZLHC-UHFFFAOYSA-N
XLogP2.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate (CID 78945695) is methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1sccc1OC.
What is the InChIKey of methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate?
The InChIKey is FWQQAGRPPPZLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-18-11-6-8-20-13(11)14(17)15-7-4-3-5-10(15)9-12(16)19-2/h6,8,10H,3-5,7,9H2,1-2H3.
What are the key properties of methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate has a molecular weight of 297.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-methoxythiophene-2-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 78945695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).