N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide

C16H17ClN2OS — CID 1489366

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cccs1
InChIInChI=1S/C16H17ClN2OS/c17-12-6-7-14(19-8-2-1-3-9-19)13(11-12)18-16(20)15-5-4-10-21-15/h4-7,10-11H,1-3,8-9H2,(H,18,20)
InChIKeyMJMBCHAYJMARPU-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.64
Rot. Bonds3

About N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide

N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 1489366) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID1489366
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cccs1
InChIInChI=1S/C16H17ClN2OS/c17-12-6-7-14(19-8-2-1-3-9-19)13(11-12)18-16(20)15-5-4-10-21-15/h4-7,10-11H,1-3,8-9H2,(H,18,20)
InChIKeyMJMBCHAYJMARPU-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide (CID 1489366) is N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cccs1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is MJMBCHAYJMARPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-12-6-7-14(19-8-2-1-3-9-19)13(11-12)18-16(20)15-5-4-10-21-15/h4-7,10-11H,1-3,8-9H2,(H,18,20).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 320.85 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1489366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).