4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide

C19H21N3OS — CID 16896249

IUPAC4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C19H21N3OS/c20-12-15-3-5-17(6-4-15)19(23)21-13-16-7-9-22(10-8-16)14-18-2-1-11-24-18/h1-6,11,16H,7-10,13-14H2,(H,21,23)
InChIKeyDYLINOWEUSMJMI-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.26
Rot. Bonds5

About 4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide

4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16896249) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16896249
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C19H21N3OS/c20-12-15-3-5-17(6-4-15)19(23)21-13-16-7-9-22(10-8-16)14-18-2-1-11-24-18/h1-6,11,16H,7-10,13-14H2,(H,21,23)
InChIKeyDYLINOWEUSMJMI-UHFFFAOYSA-N
XLogP3.26
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16896249) is 4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide is N#Cc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of 4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is DYLINOWEUSMJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c20-12-15-3-5-17(6-4-15)19(23)21-13-16-7-9-22(10-8-16)14-18-2-1-11-24-18/h1-6,11,16H,7-10,13-14H2,(H,21,23).
What are the key properties of 4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 339.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16896249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).