5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid

C16H16N2O3S — CID 22677766

IUPAC5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C16H16N2O3S/c19-15(13-6-7-14(22-13)16(20)21)18-10-8-17(9-11-18)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,20,21)
InChIKeySGTHPXAMOBZZSO-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.41
Rot. Bonds3

About 5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid

5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid (PubChem CID 22677766) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
PubChem CID22677766
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C16H16N2O3S/c19-15(13-6-7-14(22-13)16(20)21)18-10-8-17(9-11-18)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,20,21)
InChIKeySGTHPXAMOBZZSO-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid (CID 22677766) is 5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is SGTHPXAMOBZZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-15(13-6-7-14(22-13)16(20)21)18-10-8-17(9-11-18)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,20,21).
What are the key properties of 5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylpiperazine-1-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 22677766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).