2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide

C17H19ClN2OS — CID 46890924

IUPAC2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccccc1-c1ccc(Cl)s1
InChIInChI=1S/C17H19ClN2OS/c18-16-6-5-15(22-16)13-3-1-2-4-14(13)17(21)20-11-12-7-9-19-10-8-12/h1-6,12,19H,7-11H2,(H,20,21)
InChIKeyKLKHLRYDPZLOLI-UHFFFAOYSA-N
MW334.87 g/mol
LogP3.80
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide

2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 46890924) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide
PubChem CID46890924
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccccc1-c1ccc(Cl)s1
InChIInChI=1S/C17H19ClN2OS/c18-16-6-5-15(22-16)13-3-1-2-4-14(13)17(21)20-11-12-7-9-19-10-8-12/h1-6,12,19H,7-11H2,(H,20,21)
InChIKeyKLKHLRYDPZLOLI-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide (CID 46890924) is 2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide is O=C(NCC1CCNCC1)c1ccccc1-c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is KLKHLRYDPZLOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-16-6-5-15(22-16)13-3-1-2-4-14(13)17(21)20-11-12-7-9-19-10-8-12/h1-6,12,19H,7-11H2,(H,20,21).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide?
2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 334.87 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 46890924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).