2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

C14H20N2O4S — CID 102961703

IUPAC2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCOC1CCCN(C(=O)Nc2sc(C)c(C)c2C(=O)O)C1
InChIInChI=1S/C14H20N2O4S/c1-8-9(2)21-12(11(8)13(17)18)15-14(19)16-6-4-5-10(7-16)20-3/h10H,4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyDCTKQTLSYDMDOZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.71
Rot. Bonds3

About 2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 102961703) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID102961703
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCOC1CCCN(C(=O)Nc2sc(C)c(C)c2C(=O)O)C1
InChIInChI=1S/C14H20N2O4S/c1-8-9(2)21-12(11(8)13(17)18)15-14(19)16-6-4-5-10(7-16)20-3/h10H,4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyDCTKQTLSYDMDOZ-UHFFFAOYSA-N
XLogP2.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 102961703) is 2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is COC1CCCN(C(=O)Nc2sc(C)c(C)c2C(=O)O)C1.
What is the InChIKey of 2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is DCTKQTLSYDMDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-8-9(2)21-12(11(8)13(17)18)15-14(19)16-6-4-5-10(7-16)20-3/h10H,4-7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 102961703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).