5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide

C16H17ClN2OS — CID 119426767

IUPAC5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
SMILESO=C(NC1CCCNC1)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H17ClN2OS/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(20)19-13-2-1-9-18-10-13/h3-8,13,18H,1-2,9-10H2,(H,19,20)
InChIKeyOWFMODUMPUSOAF-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.55
Rot. Bonds3

About 5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide

5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide (PubChem CID 119426767) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
PubChem CID119426767
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
SMILESO=C(NC1CCCNC1)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H17ClN2OS/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(20)19-13-2-1-9-18-10-13/h3-8,13,18H,1-2,9-10H2,(H,19,20)
InChIKeyOWFMODUMPUSOAF-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide (CID 119426767) is 5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide is O=C(NC1CCCNC1)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide?
The InChIKey is OWFMODUMPUSOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(20)19-13-2-1-9-18-10-13/h3-8,13,18H,1-2,9-10H2,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide?
5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide has a molecular weight of 320.85 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 119426767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).